************************************************************************
     *************** Dalton - An Electronic Structure Program ***************
     ************************************************************************

    This is output from DALTON release Dalton2017.alpha (2017)
         ( Web site: http://daltonprogram.org )

   ----------------------------------------------------------------------------

    NOTE:
     
    Dalton is an experimental code for the evaluation of molecular
    properties using (MC)SCF, DFT, CI, and CC wave functions.
    The authors accept no responsibility for the performance of
    the code or for the correctness of the results.
     
    The code (in whole or part) is provided under a licence and
    is not to be reproduced for further distribution without
    the written permission of the authors or their representatives.
     
    See the home page "http://daltonprogram.org" for further information.
     
    If results obtained with this code are published,
    the appropriate citations would be both of:
     
       K. Aidas, C. Angeli, K. L. Bak, V. Bakken, R. Bast,
       L. Boman, O. Christiansen, R. Cimiraglia, S. Coriani,
       P. Dahle, E. K. Dalskov, U. Ekstroem,
       T. Enevoldsen, J. J. Eriksen, P. Ettenhuber, B. Fernandez,
       L. Ferrighi, H. Fliegl, L. Frediani, K. Hald, A. Halkier,
       C. Haettig, H. Heiberg, T. Helgaker, A. C. Hennum,
       H. Hettema, E. Hjertenaes, S. Hoest, I.-M. Hoeyvik,
       M. F. Iozzi, B. Jansik, H. J. Aa. Jensen, D. Jonsson,
       P. Joergensen, J. Kauczor, S. Kirpekar,
       T. Kjaergaard, W. Klopper, S. Knecht, R. Kobayashi, H. Koch,
       J. Kongsted, A. Krapp, K. Kristensen, A. Ligabue,
       O. B. Lutnaes, J. I. Melo, K. V. Mikkelsen, R. H. Myhre,
       C. Neiss, C. B. Nielsen, P. Norman, J. Olsen,
       J. M. H. Olsen, A. Osted, M. J. Packer, F. Pawlowski,
       T. B. Pedersen, P. F. Provasi, S. Reine, Z. Rinkevicius,
       T. A. Ruden, K. Ruud, V. Rybkin, P. Salek, C. C. M. Samson,
       A. Sanchez de Meras, T. Saue, S. P. A. Sauer,
       B. Schimmelpfennig, K. Sneskov, A. H. Steindal,
       K. O. Sylvester-Hvid, P. R. Taylor, A. M. Teale,
       E. I. Tellgren, D. P. Tew, A. J. Thorvaldsen, L. Thoegersen,
       O. Vahtras, M. A. Watson, D. J. D. Wilson, M. Ziolkowski
       and H. Agren,
       "The Dalton quantum chemistry program system",
       WIREs Comput. Mol. Sci. 2014, 4:269–284 (doi: 10.1002/wcms.1172)
     
    and
     
       Dalton, a Molecular Electronic Structure Program,
       Release Dalton2017.alpha (2017), see http://daltonprogram.org
   ----------------------------------------------------------------------------

    Authors in alphabetical order (major contribution(s) in parenthesis):

  Kestutis Aidas,           Vilnius University,           Lithuania   (QM/MM)
  Celestino Angeli,         University of Ferrara,        Italy       (NEVPT2)
  Keld L. Bak,              UNI-C,                        Denmark     (AOSOPPA, non-adiabatic coupling, magnetic properties)
  Vebjoern Bakken,          University of Oslo,           Norway      (DALTON; geometry optimizer, symmetry detection)
  Radovan Bast,             UiT The Arctic U. of Norway,  Norway      (DALTON installation and execution frameworks)
  Pablo Baudin,             University of Valencia,       Spain       (Cholesky excitation energies)
  Linus Boman,              NTNU,                         Norway      (Cholesky decomposition and subsystems)
  Ove Christiansen,         Aarhus University,            Denmark     (CC module)
  Renzo Cimiraglia,         University of Ferrara,        Italy       (NEVPT2)
  Sonia Coriani,            University of Trieste,        Italy       (CC module, MCD in RESPONS)
  Janusz Cukras,            University of Trieste,        Italy       (MChD in RESPONS)
  Paal Dahle,               University of Oslo,           Norway      (Parallelization)
  Erik K. Dalskov,          UNI-C,                        Denmark     (SOPPA)
  Thomas Enevoldsen,        Univ. of Southern Denmark,    Denmark     (SOPPA)
  Janus J. Eriksen,         Aarhus University,            Denmark     (Polarizable embedding model, TDA)
  Rasmus Faber,             University of Copenhagen,     Denmark     (Vib.avg. NMR with SOPPA, parallel AO-SOPPA)
  Berta Fernandez,          U. of Santiago de Compostela, Spain       (doublet spin, ESR in RESPONS)
  Lara Ferrighi,            Aarhus University,            Denmark     (PCM Cubic response)
  Heike Fliegl,             University of Oslo,           Norway      (CCSD(R12))
  Luca Frediani,            UiT The Arctic U. of Norway,  Norway      (PCM)
  Bin Gao,                  UiT The Arctic U. of Norway,  Norway      (Gen1Int library)
  Christof Haettig,         Ruhr-University Bochum,       Germany     (CC module)
  Kasper Hald,              Aarhus University,            Denmark     (CC module)
  Asger Halkier,            Aarhus University,            Denmark     (CC module)
  Frederik Beyer Hansen,    University of Copenhagen,     Denmark     (Parallel AO-SOPPA)
  Erik D. Hedegaard,        Univ. of Southern Denmark,    Denmark     (Polarizable embedding model, QM/MM)
  Hanne Heiberg,            University of Oslo,           Norway      (geometry analysis, selected one-electron integrals)
  Trygve Helgaker,          University of Oslo,           Norway      (DALTON; ABACUS, ERI, DFT modules, London, and much more)
  Alf Christian Hennum,     University of Oslo,           Norway      (Parity violation)
  Hinne Hettema,            University of Auckland,       New Zealand (quadratic response in RESPONS; SIRIUS supersymmetry)
  Eirik Hjertenaes,         NTNU,                         Norway      (Cholesky decomposition)
  Pi A. B. Haase,           University of Copenhagen,     Denmark     (Triplet AO-SOPPA)
  Maria Francesca Iozzi,    University of Oslo,           Norway      (RPA)
  Brano Jansik              Technical Univ. of Ostrava    Czech Rep.  (DFT cubic response)
  Hans Joergen Aa. Jensen,  Univ. of Southern Denmark,    Denmark     (DALTON; SIRIUS, RESPONS, ABACUS modules, London, and much more)
  Dan Jonsson,              UiT The Arctic U. of Norway,  Norway      (cubic response in RESPONS module)
  Poul Joergensen,          Aarhus University,            Denmark     (RESPONS, ABACUS, and CC modules)
  Maciej Kaminski,          University of Warsaw,         Poland      (CPPh in RESPONS)
  Joanna Kauczor,           Linkoeping University,        Sweden      (Complex polarization propagator (CPP) module)
  Sheela Kirpekar,          Univ. of Southern Denmark,    Denmark     (Mass-velocity & Darwin integrals)
  Wim Klopper,              KIT Karlsruhe,                Germany     (R12 code in CC, SIRIUS, and ABACUS modules)
  Stefan Knecht,            ETH Zurich,                   Switzerland (Parallel CI and MCSCF)
  Rika Kobayashi,           Australian National Univ.,    Australia   (DIIS in CC, London in MCSCF)
  Henrik Koch,              NTNU,                         Norway      (CC module, Cholesky decomposition)
  Jacob Kongsted,           Univ. of Southern Denmark,    Denmark     (Polarizable embedding model, QM/MM)
  Andrea Ligabue,           University of Modena,         Italy       (CTOCD, AOSOPPA)
  Nanna H. List             Univ. of Southern Denmark,    Denmark     (Polarizable embedding model)
  Ola B. Lutnaes,           University of Oslo,           Norway      (DFT Hessian)
  Juan I. Melo,             University of Buenos Aires,   Argentina   (LRESC, Relativistic Effects on NMR Shieldings)
  Kurt V. Mikkelsen,        University of Copenhagen,     Denmark     (MC-SCRF and QM/MM)
  Rolf H. Myhre,            NTNU,                         Norway      (Cholesky, subsystems and ECC2)
  Christian Neiss,          Univ. Erlangen-Nuernberg,     Germany     (CCSD(R12))
  Christian B. Nielsen,     University of Copenhagen,     Denmark     (QM/MM)
  Patrick Norman,           Linkoeping University,        Sweden      (Cubic response and complex frequency response in RESPONS)
  Jeppe Olsen,              Aarhus University,            Denmark     (SIRIUS CI/density modules)
  Jogvan Magnus H. Olsen,   Univ. of Southern Denmark,    Denmark     (Polarizable embedding model, QM/MM)
  Anders Osted,             Copenhagen University,        Denmark     (QM/MM)
  Martin J. Packer,         University of Sheffield,      UK          (SOPPA)
  Filip Pawlowski,          Kazimierz Wielki University,  Poland      (CC3)
  Morten N. Pedersen,       Univ. of Southern Denmark,    Denmark     (Polarizable embedding model)
  Thomas B. Pedersen,       University of Oslo,           Norway      (Cholesky decomposition)
  Patricio F. Provasi,      University of Northeastern,   Argentina   (Analysis of coupling constants in localized orbitals)
  Zilvinas Rinkevicius,     KTH Stockholm,                Sweden      (open-shell DFT, ESR)
  Elias Rudberg,            KTH Stockholm,                Sweden      (DFT grid and basis info)
  Torgeir A. Ruden,         University of Oslo,           Norway      (Numerical derivatives in ABACUS)
  Kenneth Ruud,             UiT The Arctic U. of Norway,  Norway      (DALTON; ABACUS magnetic properties and much more)
  Pawel Salek,              KTH Stockholm,                Sweden      (DALTON; DFT code)
  Claire C. M. Samson       University of Karlsruhe       Germany     (Boys localization, r12 integrals in ERI)
  Alfredo Sanchez de Meras, University of Valencia,       Spain       (CC module, Cholesky decomposition)
  Trond Saue,               Paul Sabatier University,     France      (direct Fock matrix construction)
  Stephan P. A. Sauer,      University of Copenhagen,     Denmark     (SOPPA(CCSD), SOPPA prop., AOSOPPA, vibrational g-factors)
  Bernd Schimmelpfennig,    Forschungszentrum Karlsruhe,  Germany     (AMFI module)
  Kristian Sneskov,         Aarhus University,            Denmark     (Polarizable embedding model, QM/MM)
  Arnfinn H. Steindal,      UiT The Arctic U. of Norway,  Norway      (parallel QM/MM, Polarizable embedding model)
  Casper Steinmann,         Univ. of Southern Denmark,    Denmark     (QFIT, Polarizable embedding model)
  K. O. Sylvester-Hvid,     University of Copenhagen,     Denmark     (MC-SCRF)
  Peter R. Taylor,          VLSCI/Univ. of Melbourne,     Australia   (Symmetry handling ABACUS, integral transformation)
  Andrew M. Teale,          University of Nottingham,     England     (DFT-AC, DFT-D)
  David P. Tew,             University of Bristol,        England     (CCSD(R12))
  Olav Vahtras,             KTH Stockholm,                Sweden      (triplet response, spin-orbit, ESR, TDDFT, open-shell DFT)
  David J. Wilson,          La Trobe University,          Australia   (DFT Hessian and DFT magnetizabilities)
  Hans Agren,               KTH Stockholm,                Sweden      (SIRIUS module, RESPONS, MC-SCRF solvation model)
 --------------------------------------------------------------------------------

     Date and time (Linux)  : Wed Oct  9 11:09:02 2019
     Host name              : nazare014.cluster                       

 * Work memory size             :  6400000000 = 47.684 gigabytes.

 * Directories for basis set searches:
   1) /home/CEISAM/jacquemin-d/TITOU/F2/TZ
   2) /home/CEISAM/blondel-a/soft/dalton/2016/dalton/SMP_PATCHE/basis


Compilation information
-----------------------

 Who compiled             | blondel-a
 Host                     | jaws.cluster
 System                   | Linux-3.10.0-862.9.1.el7.x86_64
 CMake generator          | Unix Makefiles
 Processor                | x86_64
 64-bit integers          | ON
 MPI                      | OFF
 Fortran compiler         | /trinity/shared/apps/ccipl/machine-dependant/machi
                          | ne-dependant/soft/intel/2018.3.022/compilers_and_l
                          | ibraries_2018.3.222/linux/bin/intel64/ifort
 Fortran compiler version | ifort (IFORT) 18.0.3 20180410
 C compiler               | /trinity/shared/apps/ccipl/machine-dependant/machi
                          | ne-dependant/soft/intel/2018.3.022/compilers_and_l
                          | ibraries_2018.3.222/linux/bin/intel64/icc
 C compiler version       | icc (ICC) 18.0.3 20180410
 C++ compiler             | /trinity/shared/apps/ccipl/machine-dependant/machi
                          | ne-dependant/soft/intel/2018.3.022/compilers_and_l
                          | ibraries_2018.3.222/linux/bin/intel64/icpc
 C++ compiler version     | icpc (ICC) 18.0.3 20180410
 Static linking           | ON
 Last Git revision        | 9303ffee678b31bc7478a34c517e03bc6fdd0083
 Git branch               | master
 Configuration time       | 2018-07-26 15:11:23.544354


   Content of the .dal input file
 ----------------------------------

**DALTON INPUT
.RUN WAVE FUNCTIONS
**INTEGRALS
.DIPLEN
.DEROVL
.DERHAM
**WAVE FUNCTIONS
.CC
*CC INP
.CC2
.CCSD
.CC3
*CCEXCI
.NCCEXCI
3 3 3 3 3 3 3 3
3 3 3 3 3 3 3 3
**END OF DALTON INPUT


   Content of the .mol file
 ----------------------------

BASIS
cc-pVTZ
N2/Scan
Dalton Run w/o symmetry
AtomTypes=1 Charge=0 Cartesian
Charge=9.0  Atoms=2
F    0.0000000           0.0000000000            0.000
F    0.00000000          0.0000000000            3.300


       *******************************************************************
       *********** Output from DALTON general input processing ***********
       *******************************************************************

 --------------------------------------------------------------------------------
   Overall default print level:    0
   Print level for DALTON.STAT:    1

    HERMIT 1- and 2-electron integral sections will be executed
    "Old" integral transformation used (limited to max 255 basis functions)
    Wave function sections will be executed (SIRIUS module)
 --------------------------------------------------------------------------------


   ****************************************************************************
   *************** Output of molecule and basis set information ***************
   ****************************************************************************


    The two title cards from your ".mol" input:
    ------------------------------------------------------------------------
 1: N2/Scan                                                                 
 2: Dalton Run w/o symmetry                                                 
    ------------------------------------------------------------------------

  Atomic type no.    1
  --------------------
  Nuclear charge:   9.00000
  Number of symmetry independent centers:    2
  Number of basis sets to read;    2
  Basis set file used for this atomic type with Z =   9 :
     "/home/CEISAM/blondel-a/soft/dalton/2016/dalton/SMP_PATCHE/basis/cc-pVTZ"


                      SYMADD: Requested addition of symmetry
                      --------------------------------------

 Symmetry test threshold:  5.00E-06

@   The molecule is centered at center of mass and rotated
@   so principal axes of inertia are along coordinate axes.

 Symmetry class found: D(oo,h)        

 Symmetry Independent Centres             
 ----------------------------
       9 :      0.00000000     0.00000000     1.65000000  Isotope  1

 The following elements were found:   X  Y  Z  


                         SYMGRP: Point group information
                         -------------------------------

@    Full point group is: D(oo,h)        
@    Represented as:      D2h

@  * The irrep name for each symmetry:    1: Ag     2: B3u    3: B2u    4: B1g    5: B1u    6: B2g    7: B3g    8: Au 


   * The point group was generated by:

      Reflection in the yz-plane
      Reflection in the xz-plane
      Reflection in the xy-plane

   * Group multiplication table

        |  E   C2z  C2y  C2x   i   Oxy  Oxz  Oyz
   -----+----------------------------------------
     E  |  E   C2z  C2y  C2x   i   Oxy  Oxz  Oyz
    C2z | C2z   E   C2x  C2y  Oxy   i   Oyz  Oxz
    C2y | C2y  C2x   E   C2z  Oxz  Oyz   i   Oxy
    C2x | C2x  C2y  C2z   E   Oyz  Oxz  Oxy   i 
     i  |  i   Oxy  Oxz  Oyz   E   C2z  C2y  C2x
    Oxy | Oxy   i   Oyz  Oxz  C2z   E   C2x  C2y
    Oxz | Oxz  Oyz   i   Oxy  C2y  C2x   E   C2z
    Oyz | Oyz  Oxz  Oxy   i   C2x  C2y  C2z   E 

   * Character table

        |  E   C2z  C2y  C2x   i   Oxy  Oxz  Oyz
   -----+----------------------------------------
    Ag  |   1    1    1    1    1    1    1    1
    B3u |   1   -1   -1    1   -1    1    1   -1
    B2u |   1   -1    1   -1   -1    1   -1    1
    B1g |   1    1   -1   -1    1    1   -1   -1
    B1u |   1    1   -1   -1   -1   -1    1    1
    B2g |   1   -1    1   -1    1   -1    1   -1
    B3g |   1   -1   -1    1    1   -1   -1    1
    Au  |   1    1    1    1   -1   -1   -1   -1

   * Direct product table

        | Ag   B3u  B2u  B1g  B1u  B2g  B3g  Au 
   -----+----------------------------------------
    Ag  | Ag   B3u  B2u  B1g  B1u  B2g  B3g  Au 
    B3u | B3u  Ag   B1g  B2u  B2g  B1u  Au   B3g
    B2u | B2u  B1g  Ag   B3u  B3g  Au   B1u  B2g
    B1g | B1g  B2u  B3u  Ag   Au   B3g  B2g  B1u
    B1u | B1u  B2g  B3g  Au   Ag   B3u  B2u  B1g
    B2g | B2g  B1u  Au   B3g  B3u  Ag   B1g  B2u
    B3g | B3g  Au   B1u  B2g  B2u  B1g  Ag   B3u
    Au  | Au   B3g  B2g  B1u  B1g  B2u  B3u  Ag 


                                 Isotopic Masses
                                 ---------------

                           F   _1     18.998403
                           F   _2     18.998403

                       Total mass:    37.996806 amu
                       Natural abundance: 100.000 %

 Center-of-mass coordinates (a.u.):    0.000000    0.000000    0.000000


  Atoms and basis sets
  --------------------

  Number of atom types :    1
  Total number of atoms:    2

  Basis set used is "cc-pVTZ" from the basis set library.

  label    atoms   charge   prim   cont     basis
  ----------------------------------------------------------------------
  F           2    9.0000    47    35      [10s5p2d1f|4s3p2d1f]                               
  ----------------------------------------------------------------------
  total:      2   18.0000    94    70
  ----------------------------------------------------------------------
  Cartesian basis used.
  (Note that d, f, ... atomic GTOs are not all normalized.)

  Threshold for neglecting AO integrals:  1.00D-12


  Cartesian Coordinates (a.u.)
  ----------------------------

  Total number of coordinates:    6
  F   / 1 :     1  x   0.0000000000    2  y   0.0000000000    3  z   1.6500000000
  F   / 2 :     4  x   0.0000000000    5  y   0.0000000000    6  z  -1.6500000000


  Symmetry Coordinates
  --------------------

  Number of coordinates in each symmetry:     1    1    1    0    1    1    1    0

  Symmetry  Ag  ( 1)

    1   F     z    [  3  -    6 ]/2

  Symmetry  B3u ( 2)

    2   F     x    [  1  +    4 ]/2

  Symmetry  B2u ( 3)

    3   F     y    [  2  +    5 ]/2

  Symmetry  B1u ( 5)

    4   F     z    [  3  +    6 ]/2

  Symmetry  B2g ( 6)

    5   F     x    [  1  -    4 ]/2

  Symmetry  B3g ( 7)

    6   F     y    [  2  -    5 ]/2


   Interatomic separations (in Angstrom):
   --------------------------------------

            F   _1      F   _2
            ------      ------
 F   _1:    0.000000
 F   _2:    1.746285    0.000000


  Max    interatomic separation is    1.7463 Angstrom (    3.3000 Bohr)
  between atoms    2 and    1, "F   _2" and "F   _1".

  Min YX interatomic separation is    1.7463 Angstrom (    3.3000 Bohr)


  Bond distances (Angstrom):
  --------------------------

                  atom 1     atom 2       distance
                  ------     ------       --------




 Principal moments of inertia (u*A**2) and principal axes
 --------------------------------------------------------

   IA       0.000000          0.000000    0.000000    1.000000
   IB      28.967916          0.000000    1.000000    0.000000
   IC      28.967916          1.000000    0.000000    0.000000


 Rotational constants
 --------------------

@    The molecule is linear.

               B =        17446.16 MHz     (    0.581941 cm-1)


@  Nuclear repulsion energy :   24.545454545455 Hartree


  Symmetry Orbitals
  -----------------

  Number of orbitals in each symmetry:          16    8    8    3   16    8    8    3


  Symmetry  Ag ( 1)

    1     F        s          1 +    2
    2     F        s          3 +    4
    3     F        s          5 +    6
    4     F        s          7 +    8
    5     F        pz        13 -   14
    6     F        pz        19 -   20
    7     F        pz        25 -   26
    8     F        dxx       27 +   28
    9     F        dyy       33 +   34
   10     F        dzz       37 +   38
   11     F        dxx       39 +   40
   12     F        dyy       45 +   46
   13     F        dzz       49 +   50
   14     F        fxxz      55 -   56
   15     F        fyyz      65 -   66
   16     F        fzzz      69 -   70


  Symmetry  B3u( 2)

   17     F        px         9 +   10
   18     F        px        15 +   16
   19     F        px        21 +   22
   20     F        dxz       31 -   32
   21     F        dxz       43 -   44
   22     F        fxxx      51 +   52
   23     F        fxyy      57 +   58
   24     F        fxzz      61 +   62


  Symmetry  B2u( 3)

   25     F        py        11 +   12
   26     F        py        17 +   18
   27     F        py        23 +   24
   28     F        dyz       35 -   36
   29     F        dyz       47 -   48
   30     F        fxxy      53 +   54
   31     F        fyyy      63 +   64
   32     F        fyzz      67 +   68


  Symmetry  B1g( 4)

   33     F        dxy       29 +   30
   34     F        dxy       41 +   42
   35     F        fxyz      59 -   60


  Symmetry  B1u( 5)

   36     F        s          1 -    2
   37     F        s          3 -    4
   38     F        s          5 -    6
   39     F        s          7 -    8
   40     F        pz        13 +   14
   41     F        pz        19 +   20
   42     F        pz        25 +   26
   43     F        dxx       27 -   28
   44     F        dyy       33 -   34
   45     F        dzz       37 -   38
   46     F        dxx       39 -   40
   47     F        dyy       45 -   46
   48     F        dzz       49 -   50
   49     F        fxxz      55 +   56
   50     F        fyyz      65 +   66
   51     F        fzzz      69 +   70


  Symmetry  B2g( 6)

   52     F        px         9 -   10
   53     F        px        15 -   16
   54     F        px        21 -   22
   55     F        dxz       31 +   32
   56     F        dxz       43 +   44
   57     F        fxxx      51 -   52
   58     F        fxyy      57 -   58
   59     F        fxzz      61 -   62


  Symmetry  B3g( 7)

   60     F        py        11 -   12
   61     F        py        17 -   18
   62     F        py        23 -   24
   63     F        dyz       35 +   36
   64     F        dyz       47 +   48
   65     F        fxxy      53 -   54
   66     F        fyyy      63 -   64
   67     F        fyzz      67 -   68


  Symmetry  Au ( 8)

   68     F        dxy       29 -   30
   69     F        dxy       41 -   42
   70     F        fxyz      59 +   60

  Symmetries of electric field:  B3u(2)  B2u(3)  B1u(5)

  Symmetries of magnetic field:  B3g(7)  B2g(6)  B1g(4)


                     .---------------------------------------.
                     | Starting in Integral Section (HERMIT) |
                     `---------------------------------------'



 ***************************************************************************************
 ****************** Output from **INTEGRALS input processing (HERMIT) ******************
 ***************************************************************************************



    *************************************************************************
    ****************** Output from HERMIT input processing ******************
    *************************************************************************


 Default print level:        1

 * Nuclear model: Point charge

 Calculation of one- and two-electron Hamiltonian integrals.

 The following one-electron property integrals are calculated as requested:
          - overlap integrals
          - dipole length integrals
          - Geometrical derivatives of overlap integrals
          - Geometrical derivatives of one-electron Hamiltonian integrals

 Center of mass  (bohr):      0.000000000000      0.000000000000      0.000000000000
 Operator center (bohr):      0.000000000000      0.000000000000      0.000000000000
 Gauge origin    (bohr):      0.000000000000      0.000000000000      0.000000000000
 Dipole origin   (bohr):      0.000000000000      0.000000000000      0.000000000000


     ************************************************************************
     ************************** Output from HERINT **************************
     ************************************************************************



                      Nuclear contribution to dipole moments
                      --------------------------------------

                    All dipole components are zero by symmetry



 Threshold for neglecting two-electron integrals:  1.00D-12
 HERMIT - Number of two-electron integrals written:      405067 ( 13.1% )
 HERMIT - Megabytes written:                              4.644

  Time used in TWOINT     is       0.35 seconds
  Total CPU  time used in HERMIT:   0.37 seconds
  Total wall time used in HERMIT:   0.11 seconds


                        .----------------------------------.
                        | End of Integral Section (HERMIT) |
                        `----------------------------------'



                   .--------------------------------------------.
                   | Starting in Wave Function Section (SIRIUS) |
                   `--------------------------------------------'

NCCEXCI for singlet:    3    3    3    3    3    3    3    3
NCCEXCI for triplet:    3    3    3    3    3    3    3    3

 *** Output from Huckel module :

     Using EWMO model:          F
     Using EHT  model:          T
     Number of Huckel orbitals each symmetry:    3    1    1    0    3    1    1    0

 Huckel EHT eigenvalues for symmetry :  1
          -26.383973      -1.666115      -0.796557

 Huckel EHT eigenvalues for symmetry :  2
           -0.768033

 Huckel EHT eigenvalues for symmetry :  3
           -0.768033

 Huckel EHT eigenvalues for symmetry :  5
          -26.382709      -1.513979      -0.627066

 Huckel EHT eigenvalues for symmetry :  6
           -0.691967

 Huckel EHT eigenvalues for symmetry :  7
           -0.691967

 **********************************************************************
 *SIRIUS* a direct, restricted step, second order MCSCF program       *
 **********************************************************************

 
     Date and time (Linux)  : Wed Oct  9 11:09:02 2019
     Host name              : nazare014.cluster                       

 Title lines from ".mol" input file:
     N2/Scan                                                                 
     Dalton Run w/o symmetry                                                 

 Print level on unit LUPRI =   2 is   0
 Print level on unit LUW4  =   2 is   5

@    (Integral direct) CC calculation.

@    This is a combination run starting with
@              a restricted, closed shell Hartree-Fock calculation


 Initial molecular orbitals are obtained according to
 ".MOSTART EHT   " input option

     Wave function specification
     ============================

     For the specification of the Coupled Cluster: see later.

@    Wave function type        --- CC ---
@    Number of closed shell electrons          18
@    Number of electrons in active shells       0
@    Total charge of the molecule               0

@    Spin multiplicity and 2 M_S                1         0
@    Total number of symmetries                 8 (point group: D2h)
@    Reference state symmetry                   1 (irrep name : Ag )

     Orbital specifications
     ======================
@    Abelian symmetry species          All |    1    2    3    4    5    6    7    8
@                                          |  Ag   B3u  B2u  B1g  B1u  B2g  B3g  Au 
                                       --- |  ---  ---  ---  ---  ---  ---  ---  ---
@    Total number of orbitals           70 |   16    8    8    3   16    8    8    3
@    Number of basis functions          70 |   16    8    8    3   16    8    8    3

      ** Automatic occupation of RHF orbitals **

      -- Initial occupation of symmetries is determined from extended Huckel guess.           
      -- Initial occupation of symmetries is :
@    Occupied SCF orbitals               9 |    3    1    1    0    2    1    1    0

     Maximum number of Fock   iterations      0
     Maximum number of DIIS   iterations     60
     Maximum number of QC-SCF iterations     60
     Threshold for SCF convergence     1.00D-06


 Changes of defaults for CC:
 ---------------------------


 -Iterative triple excitations included 
 -Excitation energies calculated
  


 ***********************************************
 ***** DIIS acceleration of SCF iterations *****
 ***********************************************

 C1-DIIS algorithm; max error vectors =    8

 Automatic occupation of symmetries with  18 electrons.

 Iter     Total energy    Error norm  Delta(E)    SCF occupation
 -----------------------------------------------------------------------------

Calculating AOSUPINT
     (Precalculated AO two-electron integrals are transformed to P-supermatrix elements.
      Threshold for discarding integrals :  1.00D-12 )
@  1  -198.615629501       1.30D+00  -1.99D+02     3   1   1   0   2   1   1   0
      Virial theorem: -V/T =      2.002390
@    MULPOP   F   _1  0.00; F   _2  0.00; 
   1  Level shift: doubly occupied orbital energies shifted by -2.00D-01
 -----------------------------------------------------------------------------
@  2  -198.671355745       2.51D-01  -5.57D-02     3   1   1   0   2   1   1   0
      Virial theorem: -V/T =      2.002584
@    MULPOP   F   _1  0.00; F   _2  0.00; 
   2  Level shift: doubly occupied orbital energies shifted by -5.00D-02
 -----------------------------------------------------------------------------
@  3  -198.673836897       4.87D-02  -2.48D-03     3   1   1   0   2   1   1   0
      Virial theorem: -V/T =      2.002791
@    MULPOP   F   _1  0.00; F   _2  0.00; 
   3  Level shift: doubly occupied orbital energies shifted by -1.25D-02
 -----------------------------------------------------------------------------
@  4  -198.674044594       1.36D-02  -2.08D-04     3   1   1   0   2   1   1   0
      Virial theorem: -V/T =      2.002576
@    MULPOP   F   _1  0.00; F   _2  0.00; 
 -----------------------------------------------------------------------------
@  5  -198.674056197       2.84D-03  -1.16D-05     3   1   1   0   2   1   1   0
      Virial theorem: -V/T =      2.002640
@    MULPOP   F   _1  0.00; F   _2  0.00; 
 -----------------------------------------------------------------------------
@  6  -198.674056536       5.91D-04  -3.38D-07     3   1   1   0   2   1   1   0
      Virial theorem: -V/T =      2.002608
@    MULPOP   F   _1 -0.00; F   _2 -0.00; 
 -----------------------------------------------------------------------------
@  7  -198.674056552       6.85D-05  -1.67D-08     3   1   1   0   2   1   1   0
      Virial theorem: -V/T =      2.002614
@    MULPOP   F   _1  0.00; F   _2  0.00; 
 -----------------------------------------------------------------------------
@  8  -198.674056553       5.77D-06  -2.94D-10     3   1   1   0   2   1   1   0
      Virial theorem: -V/T =      2.002614
@    MULPOP   F   _1 -0.00; F   _2 -0.00; 
 -----------------------------------------------------------------------------
@  9  -198.674056553       6.38D-07  -2.96D-12     3   1   1   0   2   1   1   0

@ *** DIIS converged in   9 iterations !
@     Converged SCF energy, gradient:   -198.674056552767    6.38D-07
    - total time used in SIRFCK :              0.00 seconds


 *** SCF orbital energy analysis ***

 Only the 20 lowest virtual orbital energies printed in each symmetry.

 Number of electrons :   18
 Orbital occupations :    3    1    1    0    2    1    1    0

 Sym       Hartree-Fock orbital energies

1 Ag    -26.44884041    -1.66340182    -0.64448815     0.67300777     1.00064261
          1.91216993     2.17371757     3.19164333     3.79012261     7.16981136
          7.28311269     8.62036273     8.73472974     9.02719553    13.05951385
         22.10971569

2 B3u    -0.76788131     0.78814064     1.99800640     3.81377407     7.20913570
          7.33090387     8.60345623     8.82859463

3 B2u    -0.76788131     0.78814064     1.99800640     3.81377407     7.20913570
          7.33090387     8.60345623     8.82859463

4 B1g     2.17371757     7.28311269     8.73472974

5 B1u   -26.44871296    -1.55930779    -0.08611682     0.75986185     1.17418860
          2.24413060     3.05616649     3.37620096     4.32578696     7.30350685
          7.35963759     8.78456580     9.01359089     9.96293526    13.96784304
         22.13481153

6 B2g    -0.70966698     0.93331274     2.48204534     3.93806738     7.33142525
          7.33208565     8.95667067     8.98819392

7 B3g    -0.70966698     0.93331274     2.48204534     3.93806738     7.33142525
          7.33208565     8.95667067     8.98819392

8 Au      2.24413060     7.30350685     8.78456580

    E(LUMO) :    -0.08611682 au (symmetry 5)
  - E(HOMO) :    -0.64448815 au (symmetry 1)
  ------------------------------------------
    gap     :     0.55837133 au

 --- Writing SIRIFC interface file

 CPU and wall time for SCF :       0.155       0.031


                       .-----------------------------------.
                       | --- Final results from SIRIUS --- |
                       `-----------------------------------'


@    Spin multiplicity:           1
@    Spatial symmetry:            1 ( irrep  Ag  in D2h )
@    Total charge of molecule:    0

@    Final HF energy:            -198.674056552767                 
@    Nuclear repulsion:            24.545454545455
@    Electronic energy:          -223.219511098221

@    Final gradient norm:           0.000000637949

 
     Date and time (Linux)  : Wed Oct  9 11:09:02 2019
     Host name              : nazare014.cluster                       


 INFO: Sorry, plot of MOs with Molden is only implemented for spherical GTOs

File label for MO orbitals:   9Oct19   FOCKDIIS

 (Only coefficients > 0.0100 are printed.)

 Molecular orbitals for symmetry species 1  (Ag )
 ------------------------------------------------

    Orbital         1        2        3        4        5        6        7
   1 F   :s      0.7037  -0.0038   0.0073   0.0395  -0.0188   0.1184   0.0000
   2 F   :s     -0.0121   0.6781   0.1218  -0.2124   0.0061   0.5865   0.0000
   3 F   :s      0.0038   0.0048  -0.0017  -0.5073   0.0945  -0.1597  -0.0000
   4 F   :s      0.0013  -0.0109   0.0102   2.0826  -0.1669   0.0588  -0.0000
   5 F   :pz    -0.0012  -0.0265   0.6082  -0.0146  -0.1845  -0.5003   0.0000
   6 F   :pz     0.0004  -0.0146   0.0303  -0.1068  -1.0988   0.5047  -0.0000
   7 F   :pz     0.0003   0.0011   0.0337   0.2038   0.9473   0.1617  -0.0000
   8 F   :dxx    0.0009   0.0009  -0.0002  -0.0516   0.0120  -0.0253  -0.0040
   9 F   :dyy    0.0009   0.0009  -0.0002  -0.0516   0.0120  -0.0253   0.0040
  10 F   :dzz    0.0008   0.0008  -0.0017  -0.0497   0.0050  -0.0194  -0.0000
  11 F   :dxx    0.0016   0.0008   0.0033  -0.3555   0.0352   0.0506   0.3539
  12 F   :dyy    0.0016   0.0008   0.0033  -0.3555   0.0352   0.0506  -0.3539
  13 F   :dzz    0.0015   0.0054  -0.0157  -0.3802   0.1411  -0.4755  -0.0000
  14 F   :fxxz   0.0000   0.0015  -0.0036   0.0066   0.0807  -0.0443  -0.0020
  15 F   :fyyz   0.0000   0.0015  -0.0036   0.0066   0.0807  -0.0443   0.0020
  16 F   :fzzz   0.0000   0.0006  -0.0001   0.0092   0.0725  -0.0344   0.0000

    Orbital         8        9       10       11       12       13
   1 F   :s      0.6542  -0.0751  -0.0890  -0.0000  -0.0021  -0.0000
   2 F   :s      2.9658  -0.3512  -0.2333  -0.0000  -0.0599  -0.0000
   3 F   :s     -0.9678   0.0838   0.0781   0.0000   0.0063   0.0000
   4 F   :s      0.7051  -0.0863   0.1918  -0.0000  -0.0802  -0.0000
   5 F   :pz    -0.1638  -2.4377  -0.3098   0.0000   0.2169  -0.0000
   6 F   :pz     0.3707   4.1413   0.0864  -0.0000   1.0938   0.0000
   7 F   :pz    -0.0362   0.1050   0.0576   0.0000  -0.2124  -0.0000
   8 F   :dxx   -0.1416   0.0077   0.0304  -0.0030  -0.1980  -0.4091
   9 F   :dyy   -0.1416   0.0077   0.0304   0.0030  -0.1980   0.4091
  10 F   :dzz   -0.1289   0.0290  -0.0039   0.0000   0.4078   0.0000
  11 F   :dxx   -0.8280   0.0199  -0.0176  -0.0017   0.1219   0.2014
  12 F   :dyy   -0.8280   0.0199  -0.0176   0.0017   0.1219  -0.2014
  13 F   :dzz   -0.6746   0.1607  -0.0305   0.0000  -0.1368   0.0000
  14 F   :fxxz  -0.0336  -0.3133   0.3067  -0.3534  -0.1743   0.0033
  15 F   :fyyz  -0.0336  -0.3133   0.3067   0.3534  -0.1743  -0.0033
  16 F   :fzzz  -0.0191  -0.2854  -0.1365   0.0000  -0.2479  -0.0000

 Molecular orbitals for symmetry species 2  (B3u)
 ------------------------------------------------

    Orbital         1        2        3        4        5        6        7
   1 F   :px     0.6999  -0.2602   0.0554  -2.4567  -0.0418  -0.0000   0.0176
   2 F   :px    -0.0079  -0.8273  -0.1809   4.0818  -0.0554   0.0000   0.4654
   3 F   :px    -0.0082   0.9164   0.1010   0.2164   0.0321   0.0000  -0.0905
   4 F   :dxz   -0.0011  -0.0014  -0.0156   0.0068  -0.0500  -0.0000   0.8014
   5 F   :dxz   -0.0053  -0.0131   0.6912  -0.0029  -0.0041   0.0000  -0.3704
   6 F   :fxxx   0.0000   0.0593   0.0159  -0.2973   0.1266  -0.1443  -0.0691
   7 F   :fxyy   0.0000   0.0593   0.0159  -0.2973   0.1266   0.4330  -0.0691
   8 F   :fxzz   0.0024   0.0577   0.0053  -0.2880  -0.4293   0.0000  -0.1135

    Orbital         8
   1 F   :px     0.0379
   2 F   :px     3.2164
   3 F   :px    -0.4198
   4 F   :dxz   -0.1218
   5 F   :dxz    0.0559
   6 F   :fxxx  -0.5349
   7 F   :fxyy  -0.5349
   8 F   :fxzz  -0.5529

 Molecular orbitals for symmetry species 3  (B2u)
 ------------------------------------------------

    Orbital         1        2        3        4        5        6        7
   1 F   :py     0.6999  -0.2602   0.0554  -2.4567  -0.0418  -0.0000   0.0176
   2 F   :py    -0.0079  -0.8273  -0.1809   4.0818  -0.0554  -0.0000   0.4654
   3 F   :py    -0.0082   0.9164   0.1010   0.2164   0.0321   0.0000  -0.0905
   4 F   :dyz   -0.0011  -0.0014  -0.0156   0.0068  -0.0500  -0.0000   0.8014
   5 F   :dyz   -0.0053  -0.0131   0.6912  -0.0029  -0.0041   0.0000  -0.3704
   6 F   :fxxy   0.0000   0.0593   0.0159  -0.2973   0.1266   0.4330  -0.0691
   7 F   :fyyy   0.0000   0.0593   0.0159  -0.2973   0.1266  -0.1443  -0.0691
   8 F   :fyzz   0.0024   0.0577   0.0053  -0.2880  -0.4293   0.0000  -0.1135

    Orbital         8
   1 F   :py     0.0379
   2 F   :py     3.2164
   3 F   :py    -0.4198
   4 F   :dyz   -0.1218
   5 F   :dyz    0.0559
   6 F   :fxxy  -0.5349
   7 F   :fyyy  -0.5349
   8 F   :fyzz  -0.5529

 Molecular orbitals for symmetry species 4  (B1g)
 ------------------------------------------------

    Orbital         1        2        3
   1 F   :dxy   -0.0080   0.0060   0.8182
   2 F   :dxy    0.7077   0.0033  -0.4029
   3 F   :fxyz  -0.0039   0.7069  -0.0066

 Molecular orbitals for symmetry species 5  (B1u)
 ------------------------------------------------

    Orbital         1        2        3        4        5        6        7
   1 F   :s      0.7036  -0.0011   0.0009   0.0300  -0.0550   0.0000  -0.0965
   2 F   :s     -0.0124   0.7173  -0.1220  -0.1368  -0.3797   0.0000  -0.4168
   3 F   :s      0.0041   0.0042  -0.0086  -0.3499  -0.5431  -0.0000  -0.2213
   4 F   :s      0.0008  -0.0012  -0.0412   1.3650   3.2483   0.0000   1.8485
   5 F   :pz    -0.0009   0.0477   0.7179  -0.1915   0.0550  -0.0000  -0.5365
   6 F   :pz     0.0001  -0.0002  -0.0430  -0.6381   0.7354   0.0000   1.1423
   7 F   :pz     0.0006  -0.0068   0.1598   0.8028  -1.5972   0.0000  -0.9375
   8 F   :dxx    0.0010   0.0010  -0.0016  -0.0368  -0.0398   0.0020  -0.0157
   9 F   :dyy    0.0010   0.0010  -0.0016  -0.0368  -0.0398  -0.0020  -0.0157
  10 F   :dzz    0.0008  -0.0000  -0.0004  -0.0334  -0.0539  -0.0000   0.0020
  11 F   :dxx    0.0018   0.0018  -0.0065  -0.2406  -0.4075  -0.3563  -0.4184
  12 F   :dyy    0.0018   0.0018  -0.0065  -0.2406  -0.4075   0.3563  -0.4184
  13 F   :dzz    0.0016  -0.0008   0.0000  -0.2616  -0.4197  -0.0000   0.3272
  14 F   :fxxz   0.0001  -0.0002   0.0036   0.0438  -0.0432  -0.0005  -0.0899
  15 F   :fyyz   0.0001  -0.0002   0.0036   0.0438  -0.0432   0.0005  -0.0899
  16 F   :fzzz   0.0001   0.0001   0.0045   0.0442  -0.0496   0.0000  -0.0747

    Orbital         8        9       10       11       12
   1 F   :s     -0.6057   0.1036   0.0000   0.1445   0.0000
   2 F   :s     -2.7995   0.6073   0.0000   0.4295   0.0000
   3 F   :s      1.0418  -0.2608  -0.0000  -0.1789  -0.0000
   4 F   :s     -1.5573   0.8514  -0.0000  -0.0320  -0.0000
   5 F   :pz    -0.6082  -2.4204   0.0000   0.1932   0.0000
   6 F   :pz     0.9294   3.8632  -0.0000   0.4800  -0.0000
   7 F   :pz     0.4289  -0.0237   0.0000  -0.1934  -0.0000
   8 F   :dxx    0.1400  -0.0187   0.0078  -0.0768   0.4102
   9 F   :dyy    0.1400  -0.0187  -0.0078  -0.0768  -0.4102
  10 F   :dzz    0.1346  -0.0421  -0.0000   0.0497  -0.0000
  11 F   :dxx    0.8938  -0.2395  -0.0022  -0.0340  -0.2074
  12 F   :dyy    0.8938  -0.2395   0.0022  -0.0340   0.2074
  13 F   :dzz    0.7711  -0.3365   0.0000  -0.0455  -0.0000
  14 F   :fxxz  -0.0748  -0.2351  -0.3536   0.1508   0.0075
  15 F   :fyyz  -0.0748  -0.2351   0.3536   0.1508  -0.0075
  16 F   :fzzz  -0.0694  -0.2807   0.0000  -0.2798   0.0000

 Molecular orbitals for symmetry species 6  (B2g)
 ------------------------------------------------

    Orbital         1        2        3        4        5        6        7
   1 F   :px     0.7341  -0.1918   0.0565  -2.4962  -0.0039  -0.0000  -0.0564
   2 F   :px    -0.0082  -0.9228   0.0638   4.1458  -0.1739   0.0000   0.5069
   3 F   :px    -0.0038   1.1574  -0.2128   0.0660   0.0563  -0.0000  -0.1302
   4 F   :dxz   -0.0004   0.0028   0.0062   0.0028  -0.0782   0.0000  -0.8228
   5 F   :dxz    0.0011   0.0293   0.7396   0.0489   0.0078  -0.0000   0.4658
   6 F   :fxxx   0.0003   0.0642  -0.0060  -0.2929  -0.0845  -0.1443  -0.0584
   7 F   :fxyy   0.0003   0.0642  -0.0060  -0.2929  -0.0845   0.4330  -0.0584
   8 F   :fxzz   0.0018   0.0640   0.0048  -0.2960   0.4719  -0.0000  -0.1174

    Orbital         8
   1 F   :px    -0.0609
   2 F   :px     3.4594
   3 F   :px    -0.5041
   4 F   :dxz    0.0846
   5 F   :dxz   -0.0367
   6 F   :fxxx  -0.5672
   7 F   :fxyy  -0.5672
   8 F   :fxzz  -0.5333

 Molecular orbitals for symmetry species 7  (B3g)
 ------------------------------------------------

    Orbital         1        2        3        4        5        6        7
   1 F   :py     0.7341  -0.1918   0.0565  -2.4962  -0.0039  -0.0000  -0.0564
   2 F   :py    -0.0082  -0.9228   0.0638   4.1458  -0.1739   0.0000   0.5069
   3 F   :py    -0.0038   1.1574  -0.2128   0.0660   0.0563   0.0000  -0.1302
   4 F   :dyz   -0.0004   0.0028   0.0062   0.0028  -0.0782   0.0000  -0.8228
   5 F   :dyz    0.0011   0.0293   0.7396   0.0489   0.0078  -0.0000   0.4658
   6 F   :fxxy   0.0003   0.0642  -0.0060  -0.2929  -0.0845   0.4330  -0.0584
   7 F   :fyyy   0.0003   0.0642  -0.0060  -0.2929  -0.0845  -0.1443  -0.0584
   8 F   :fyzz   0.0018   0.0640   0.0048  -0.2960   0.4719  -0.0000  -0.1174

    Orbital         8
   1 F   :py    -0.0609
   2 F   :py     3.4594
   3 F   :py    -0.5041
   4 F   :dyz    0.0846
   5 F   :dyz   -0.0367
   6 F   :fxxy  -0.5672
   7 F   :fyyy  -0.5672
   8 F   :fyzz  -0.5333

 Molecular orbitals for symmetry species 8  (Au )
 ------------------------------------------------

    Orbital         1        2        3
   1 F   :dxy   -0.0040  -0.0157  -0.8203
   2 F   :dxy    0.7125   0.0044   0.4147
   3 F   :fxyz   0.0011   0.7072  -0.0150

  Total CPU  time used in SIRIUS :   0.19 seconds
  Total wall time used in SIRIUS :   0.04 seconds

 
     Date and time (Linux)  : Wed Oct  9 11:09:02 2019
     Host name              : nazare014.cluster                       

 NOTE:    1 informational messages have been issued.
 Check output, result, and error files for "INFO".


                     .---------------------------------------.
                     | End of Wave Function Section (SIRIUS) |
                     `---------------------------------------'



                    .------------------------------------------.
                    | Starting in Coupled Cluster Section (CC) |
                    `------------------------------------------'

  

 *******************************************************************************
 *******************************************************************************
 *                                                                             *
 *                                                                             *
 *                    START OF COUPLED CLUSTER CALCULATION                     *
 *                                                                             *
 *                                                                             *
 *******************************************************************************
 *******************************************************************************



 CCR12 ANSATZ =   0

 CCR12 APPROX =   0

   

 *******************************************************************
 *                                                                 *
 *----------                                             >---------*
 *---------- OUTPUT FROM COUPLED CLUSTER ENERGY PROGRAM  >---------*
 *----------                                             >---------*
 *                                                                 *
 *******************************************************************

 
             The Direct Coupled Cluster Energy Program
             -----------------------------------------


          Number of t1 amplitudes                 :        95
          Number of t2 amplitudes                 :     20492
          Total number of amplitudes in ccsd      :     20587
 
 Iter.  1: Coupled cluster MP2   energy :    -199.2714244009370077
 Iter.  1: Coupled cluster CC2   energy :    -199.2714125411806378
 Iter.  2: Coupled cluster CC2   energy :    -199.2834327348308818
 Iter.  3: Coupled cluster CC2   energy :    -199.2870776742094563
 Iter.  4: Coupled cluster CC2   energy :    -199.2870449494797356
 Iter.  5: Coupled cluster CC2   energy :    -199.2870344000924661
 Iter.  6: Coupled cluster CC2   energy :    -199.2870454826066009
 Iter.  7: Coupled cluster CC2   energy :    -199.2870472421599004
 Iter.  8: Coupled cluster CC2   energy :    -199.2870469301950607
 Iter.  9: Coupled cluster CC2   energy :    -199.2870469186108551
 Iter. 10: Coupled cluster CC2   energy :    -199.2870469338829480
 Iter. 11: Coupled cluster CC2   energy :    -199.2870469281928649

 CC2   energy converged to within   0.10D-07 is         -199.287046928193
 Final 2-norm of the CC vector function:  1.69758819D-07





             +-------------------------------------------------------+
             ! Final results from the Coupled Cluster energy program !
             +-------------------------------------------------------+



            Total SCF   energy:                  -198.6740565528

            Total MP2   energy:                  -199.2714244009

            Total CC2   energy:                  -199.2870469282




                   +--------------------------------------------+
                   ! Calculating singlet intermediates for CCLR !
                   +--------------------------------------------+



            E-intermediates calculated 
            Fock-intermediate calculated 


   

 *******************************************************************
 *                                                                 *
 *---------- OUTPUT FROM COUPLED CLUSTER LINEAR RESPONSE >---------*
 *                                                                 *
 *----------     CALCULATION OF EXCITATION ENERGIES      >---------*
 *                                                                 *
 *******************************************************************



                            +--------------------------+
                            !  CC2 Excitation Energies !
                            +--------------------------+


 --------------------------
 Symmetry class Nr.:     1
 Multiplicity      :     1
 --------------------------

 Length of Excitation vectors in this class is:     20587
 Converging for  3 roots.
 Start vector guessed from diagonal
 ... selected element no.***
 Start vector guessed from diagonal
 ... selected element no.***
 Start vector guessed from diagonal
 ... selected element no.***


 SYMMETRY CLASS NR.    1
 MULTIPLICITY          1


 CC2        right excitation energies:
 ====================================
 (conversion factor used: 1 au = 27.2113957 eV)

 Excitation no.       Hartree               eV 
 --------------       -------               --
         1            0.8756211020       23.8268622297
         2            1.0091553786       27.4605147341
         3            1.0096104386       27.4728975465


 Total excited state energies for states of symmetry/spin    1    1
 Excitation no.       Energy (Hartree) 
 ------------------------------------- 
@@    1    1          -198.411425826162287
@@    1    2          -198.277891549613486
@@    1    3          -198.277436489617713


 Analysis of the Coupled Cluster Excitation Vector Number :  1
 -------------------------------------------------------------

          Excitation Energy :                            23.8269 eV


          CC_PRAM:Overall Contribution of the Different Components
          --------------------------------------------------------



          Single Excitation Contribution :              76.1827 %

          Double Excitation Contribution :              23.8173 %

          ||T1||/||T2||                  :               1.7885

          Norm of Total Amplitude Vector :               1.0000


 +=============================================================================+
 | symmetry|  orbital index  |   Excitation Numbers             |   Amplitude  |
 |  Index  |   a   b   i   j |      NAI      NBJ |     NAIBJ    |              |
 +=============================================================================+
 | 5   5   |   1       2     |       68          |              |   -0.845255  |
 +-----------------------------------------------------------------------------+
 | 5 5 1 1 |   1   1   3   2 |       29       15 |        10619 |   -0.231602  |
 | 5 5 1 1 |   1   1   3   3 |       29       29 |        10633 |   -0.382935  |
 +=============================================================================+


          Norm of Printed Amplitude Vector :             0.9564

          Printed all single excitations greater than 0.174565

          Printed all double excitations greater than 0.097606


 Analysis of the Coupled Cluster Excitation Vector Number :  2
 -------------------------------------------------------------

          Excitation Energy :                            27.4605 eV


          CC_PRAM:Overall Contribution of the Different Components
          --------------------------------------------------------



          Single Excitation Contribution :              90.1162 %

          Double Excitation Contribution :               9.8838 %

          ||T1||/||T2||                  :               3.0195

          Norm of Total Amplitude Vector :               1.0000


 +=============================================================================+
 | symmetry|  orbital index  |   Excitation Numbers             |   Amplitude  |
 |  Index  |   a   b   i   j |      NAI      NBJ |     NAIBJ    |              |
 +=============================================================================+
 | 2   2   |   1       1     |       40          |              |   -0.664548  |
 | 3   3   |   1       1     |       47          |              |    0.664548  |
 +-----------------------------------------------------------------------------+
 | 6 5 2 1 |   1   1   1   3 |       43       29 |        11130 |    0.083203  |
 | 7 5 3 1 |   1   1   1   3 |       50       29 |        11452 |   -0.083203  |
 | 2 5 6 1 |   1   1   1   3 |       83       29 |        13630 |   -0.174843  |
 | 3 5 7 1 |   1   1   1   3 |       90       29 |        14232 |    0.174843  |
 +=============================================================================+


          Norm of Printed Amplitude Vector :             0.9789

          Printed all single excitations greater than 0.189859

          Printed all double excitations greater than 0.062877


 Analysis of the Coupled Cluster Excitation Vector Number :  3
 -------------------------------------------------------------

          Excitation Energy :                            27.4729 eV


          CC_PRAM:Overall Contribution of the Different Components
          --------------------------------------------------------



          Single Excitation Contribution :              84.8991 %

          Double Excitation Contribution :              15.1009 %

          ||T1||/||T2||                  :               2.3711

          Norm of Total Amplitude Vector :               1.0000


 +=============================================================================+
 | symmetry|  orbital index  |   Excitation Numbers             |   Amplitude  |
 |  Index  |   a   b   i   j |      NAI      NBJ |     NAIBJ    |              |
 +=============================================================================+
 | 1   1   |   1       3     |       27          |              |    0.762973  |
 | 1   1   |   2       3     |       28          |              |   -0.306934  |
 | 5   5   |   1       2     |       68          |              |    0.309498  |
 +-----------------------------------------------------------------------------+
 | 5 5 1 1 |   1   1   3   2 |       29       15 |        10619 |    0.117062  |
 | 5 5 1 1 |   1   1   3   3 |       29       29 |        10633 |   -0.316665  |
 +=============================================================================+


          Norm of Printed Amplitude Vector :             0.9413

          Printed all single excitations greater than 0.184281

          Printed all double excitations greater than 0.077720

 --------------------------
 Symmetry class Nr.:     1
 Multiplicity      :     3
 --------------------------

 Length of Excitation vectors in this class is:     41079
 Converging for  3 roots.
 Start vector guessed from diagonal
 ... selected element no. 27
 Start vector guessed from diagonal
 ... selected element no. 68
 Start vector guessed from diagonal
 ... selected element no. 40


 SYMMETRY CLASS NR.    1
 MULTIPLICITY          3


 CC2        right excitation energies:
 ====================================
 (conversion factor used: 1 au = 27.2113957 eV)

 Excitation no.       Hartree               eV 
 --------------       -------               --
         1            0.8267785617       22.4977890981
         2            0.9559556686       26.0128769858
         3            0.9898772554       26.9359303187


 Total excited state energies for states of symmetry/spin    1    3
 Excitation no.       Energy (Hartree) 
 ------------------------------------- 
@@    1    1          -198.460268366525099
@@    1    2          -198.331091259600726
@@    1    3          -198.297169672745355


 Analysis of the Coupled Cluster Excitation Vector Number :  1
 -------------------------------------------------------------

          Excitation Energy :                            22.4978 eV


     CC_PRAM:Overall Contribution of the Different Components
     --------------------------------------------------------



     Single Excitation Contribution      :         98.2498 %

     Double Excitation Contribution (+/-):          0.2756 %    /    1.4747 % 

     ||T1||/||T2||                       :          7.4923

     Norm of Total Amplitude Vector :          1.0000


 +=============================================================================+
 | symmetry|  orbital index  |   Excitation Numbers             |   Amplitude  |
 |  Index  |   a   b   i   j |      NAI      NBJ |     NAIBJ    |              |
 +=============================================================================+
 | 5   5   |   1       2     |       68          |              |    0.972128  |
 +-----------------------------------------------------------------------------+
 | 5 5 1 1 |   1   1   3   2 |       29       15 | (-)    10619 |    0.074804  |
 +=============================================================================+


          Norm of Printed Amplitude Vector :             0.9750


          Printed all single excitations greater than  0.198242


          Printed all double excitations greater than  0.026459


 Analysis of the Coupled Cluster Excitation Vector Number :  2
 -------------------------------------------------------------

          Excitation Energy :                            26.0129 eV


     CC_PRAM:Overall Contribution of the Different Components
     --------------------------------------------------------



     Single Excitation Contribution      :         97.6245 %

     Double Excitation Contribution (+/-):          1.0410 %    /    1.3345 % 

     ||T1||/||T2||                       :          6.4107

     Norm of Total Amplitude Vector :          1.0000


 +=============================================================================+
 | symmetry|  orbital index  |   Excitation Numbers             |   Amplitude  |
 |  Index  |   a   b   i   j |      NAI      NBJ |     NAIBJ    |              |
 +=============================================================================+
 | 2   2   |   1       1     |       40          |              |    0.663936  |
 | 3   3   |   1       1     |       47          |              |    0.663909  |
 +-----------------------------------------------------------------------------+
 | 5 2 6 1 |   1   1   1   3 |       52       15 | (+)     5901 |   -0.060294  |
 | 5 3 7 1 |   1   1   1   3 |       55       15 | (+)     8406 |   -0.060290  |
 | 2 5 6 1 |   1   1   1   3 |       83       29 | (-)    13630 |   -0.068929  |
 | 3 5 7 1 |   1   1   1   3 |       90       29 | (-)    14232 |   -0.068925  |
 +=============================================================================+


          Norm of Printed Amplitude Vector :             0.9478


          Printed all single excitations greater than  0.197610


          Printed all double excitations greater than  0.030825


 Analysis of the Coupled Cluster Excitation Vector Number :  3
 -------------------------------------------------------------

          Excitation Energy :                            26.9359 eV


     CC_PRAM:Overall Contribution of the Different Components
     --------------------------------------------------------



     Single Excitation Contribution      :         96.4234 %

     Double Excitation Contribution (+/-):          1.4870 %    /    2.0897 % 

     ||T1||/||T2||                       :          5.1922

     Norm of Total Amplitude Vector :          1.0000


 +=============================================================================+
 | symmetry|  orbital index  |   Excitation Numbers             |   Amplitude  |
 |  Index  |   a   b   i   j |      NAI      NBJ |     NAIBJ    |              |
 +=============================================================================+
 | 2   2   |   1       1     |       40          |              |    0.692358  |
 | 3   3   |   1       1     |       47          |              |   -0.692354  |
 +-----------------------------------------------------------------------------+
 | 5 2 6 1 |   1   1   1   3 |       52       15 | (+)     5901 |   -0.074120  |
 | 5 3 7 1 |   1   1   1   3 |       55       15 | (+)     8406 |    0.074116  |
 | 2 5 6 1 |   1   1   1   3 |       83       29 | (-)    13630 |   -0.081300  |
 | 3 5 7 1 |   1   1   1   3 |       90       29 | (-)    14232 |    0.081295  |
 +=============================================================================+


          Norm of Printed Amplitude Vector :             0.9914


          Printed all single excitations greater than  0.196391


          Printed all double excitations greater than  0.037824


 *******************************************************************************

 --------------------------
 Symmetry class Nr.:     2
 Multiplicity      :     1
 --------------------------

 Length of Excitation vectors in this class is:     18904
 Converging for  3 roots.
 Start vector guessed from diagonal
 ... selected element no. 52
 Start vector guessed from diagonal
 ... selected element no.***
 Start vector guessed from diagonal
 ... selected element no. 15


 SYMMETRY CLASS NR.    2
 MULTIPLICITY          1


 CC2        right excitation energies:
 ====================================
 (conversion factor used: 1 au = 27.2113957 eV)

 Excitation no.       Hartree               eV 
 --------------       -------               --
         1            0.0780167590        2.1229440035
         2            0.8950387099       24.3552422178
         3            0.9433717115       25.6704500944


 Total excited state energies for states of symmetry/spin    2    1
 Excitation no.       Energy (Hartree) 
 ------------------------------------- 
@@    2    1          -199.209030169211189
@@    2    2          -198.392008218296553
@@    2    3          -198.343675216695743


 Analysis of the Coupled Cluster Excitation Vector Number :  1
 -------------------------------------------------------------

          Excitation Energy :                             2.1229 eV


          CC_PRAM:Overall Contribution of the Different Components
          --------------------------------------------------------



          Single Excitation Contribution :              92.3110 %

          Double Excitation Contribution :               7.6890 %

          ||T1||/||T2||                  :               3.4649

          Norm of Total Amplitude Vector :               1.0000


 +=============================================================================+
 | symmetry|  orbital index  |   Excitation Numbers             |   Amplitude  |
 |  Index  |   a   b   i   j |      NAI      NBJ |     NAIBJ    |              |
 +=============================================================================+
 | 5   6   |   1       1     |       52          |              |    0.956762  |
 +-----------------------------------------------------------------------------+
 | 6 5 1 1 |   5   3   1   3 |        5       31 |        11429 |    0.226918  |
 +=============================================================================+


          Norm of Printed Amplitude Vector :             0.9833

          Printed all single excitations greater than 0.192157

          Printed all double excitations greater than 0.055458


 Analysis of the Coupled Cluster Excitation Vector Number :  2
 -------------------------------------------------------------

          Excitation Energy :                            24.3552 eV


          CC_PRAM:Overall Contribution of the Different Components
          --------------------------------------------------------



          Single Excitation Contribution :              86.8839 %

          Double Excitation Contribution :              13.1161 %

          ||T1||/||T2||                  :               2.5738

          Norm of Total Amplitude Vector :               1.0000


 +=============================================================================+
 | symmetry|  orbital index  |   Excitation Numbers             |   Amplitude  |
 |  Index  |   a   b   i   j |      NAI      NBJ |     NAIBJ    |              |
 +=============================================================================+
 | 1   2   |   1       1     |       22          |              |   -0.833057  |
 | 5   6   |   2       1     |       53          |              |    0.410273  |
 +-----------------------------------------------------------------------------+
 | 6 5 1 1 |   5   3   1   3 |        5       31 |        11429 |    0.083684  |
 | 5 5 2 1 |  12   4   1   3 |       33       32 |        11525 |    0.163732  |
 | 1 1 6 5 |   5   5   1   2 |       57       74 |        14405 |   -0.252825  |
 +=============================================================================+


          Norm of Printed Amplitude Vector :             0.9798

          Printed all single excitations greater than 0.186423

          Printed all double excitations greater than 0.072432


 Analysis of the Coupled Cluster Excitation Vector Number :  3
 -------------------------------------------------------------

          Excitation Energy :                            25.6705 eV


          CC_PRAM:Overall Contribution of the Different Components
          --------------------------------------------------------



          Single Excitation Contribution :              94.1736 %

          Double Excitation Contribution :               5.8264 %

          ||T1||/||T2||                  :               4.0203

          Norm of Total Amplitude Vector :               1.0000


 +=============================================================================+
 | symmetry|  orbital index  |   Excitation Numbers             |   Amplitude  |
 |  Index  |   a   b   i   j |      NAI      NBJ |     NAIBJ    |              |
 +=============================================================================+
 | 1   2   |   1       1     |       22          |              |    0.460982  |
 | 5   6   |   2       1     |       53          |              |    0.850933  |
 +-----------------------------------------------------------------------------+
 | 5 5 2 1 |  12   4   1   3 |       33       32 |        11525 |    0.145911  |
 | 6 1 1 5 |   3   7   3   2 |       17       76 |        14501 |   -0.074536  |
 +=============================================================================+


          Norm of Printed Amplitude Vector :             0.9815

          Printed all single excitations greater than 0.194086

          Printed all double excitations greater than 0.048276


 *******************************************************************************

 --------------------------
 Symmetry class Nr.:     2
 Multiplicity      :     3
 --------------------------

 Length of Excitation vectors in this class is:     37740
 Converging for  3 roots.
 Start vector guessed from diagonal
 ... selected element no. 52
 Start vector guessed from diagonal
 ... selected element no.***
 Start vector guessed from diagonal
 ... selected element no. 15
         2 1.01573738D+00 1.56818032D-02 *** CCRED  WARNING **** COMPLEX VALUE.

         3 1.01573738D+00-1.56818032D-02 *** CCRED  WARNING **** COMPLEX VALUE.


 REDUCED EIGENVALUES real part:

               Column   1
       1       0.04358997
       2       1.01573738
       3       1.01573738
    ==== End of matrix output ====

 REDUCED EIGENVALUES imaginary part:

               Column   1
       2       0.01568180
       3      -0.01568180
    ==== End of matrix output ====
 **WARNING CCRED: COMPLEX EIGENVALUES.


 SYMMETRY CLASS NR.    2
 MULTIPLICITY          3


 CC2        right excitation energies:
 ====================================
 (conversion factor used: 1 au = 27.2113957 eV)

 Excitation no.       Hartree               eV 
 --------------       -------               --
         1            0.0435175291        1.1841722050
         2            0.8774876437       23.8776534127
         3            0.9154376330       24.9103251515


 Total excited state energies for states of symmetry/spin    2    3
 Excitation no.       Energy (Hartree) 
 ------------------------------------- 
@@    2    1          -199.243529399063021
@@    2    2          -198.409559284475392
@@    2    3          -198.371609295203882


 Analysis of the Coupled Cluster Excitation Vector Number :  1
 -------------------------------------------------------------

          Excitation Energy :                             1.1842 eV


     CC_PRAM:Overall Contribution of the Different Components
     --------------------------------------------------------



     Single Excitation Contribution      :         98.1072 %

     Double Excitation Contribution (+/-):          0.3320 %    /    1.5608 % 

     ||T1||/||T2||                       :          7.1995

     Norm of Total Amplitude Vector :          1.0000


 +=============================================================================+
 | symmetry|  orbital index  |   Excitation Numbers             |   Amplitude  |
 |  Index  |   a   b   i   j |      NAI      NBJ |     NAIBJ    |              |
 +=============================================================================+
 | 5   6   |   1       1     |       52          |              |    0.984723  |
 +-----------------------------------------------------------------------------+
 | 6 5 1 1 |   5   3   1   3 |        5       31 | (-)    11429 |   -0.095443  |
 | 1 5 6 1 |   7   3   1   3 |       59       31 | (-)    11483 |    0.030724  |
 +=============================================================================+


          Norm of Printed Amplitude Vector :             0.9898


          Printed all single excitations greater than  0.198098


          Printed all double excitations greater than  0.027516


 Analysis of the Coupled Cluster Excitation Vector Number :  2
 -------------------------------------------------------------

          Excitation Energy :                            23.8777 eV


     CC_PRAM:Overall Contribution of the Different Components
     --------------------------------------------------------



     Single Excitation Contribution      :         95.9024 %

     Double Excitation Contribution (+/-):          1.6279 %    /    2.4697 % 

     ||T1||/||T2||                       :          4.8378

     Norm of Total Amplitude Vector :          1.0000


 +=============================================================================+
 | symmetry|  orbital index  |   Excitation Numbers             |   Amplitude  |
 |  Index  |   a   b   i   j |      NAI      NBJ |     NAIBJ    |              |
 +=============================================================================+
 | 1   2   |   1       1     |       22          |              |   -0.969937  |
 +-----------------------------------------------------------------------------+
 | 6 5 5 5 |   7   5   1   2 |       44       72 | (+)     4872 |    0.106628  |
 | 6 5 1 1 |   5   3   1   3 |        5       31 | (-)    11429 |   -0.046009  |
 | 5 5 2 1 |  12   4   1   3 |       33       32 | (-)    11525 |   -0.041419  |
 | 1 1 6 5 |   5   5   1   2 |       57       74 | (-)    14405 |    0.116807  |
 +=============================================================================+


          Norm of Printed Amplitude Vector :             0.9847


          Printed all single excitations greater than  0.195860


          Printed all double excitations greater than  0.040485


 Analysis of the Coupled Cluster Excitation Vector Number :  3
 -------------------------------------------------------------

          Excitation Energy :                            24.9103 eV


     CC_PRAM:Overall Contribution of the Different Components
     --------------------------------------------------------



     Single Excitation Contribution      :         96.3009 %

     Double Excitation Contribution (+/-):          1.4540 %    /    2.2451 % 

     ||T1||/||T2||                       :          5.1023

     Norm of Total Amplitude Vector :          1.0000


 +=============================================================================+
 | symmetry|  orbital index  |   Excitation Numbers             |   Amplitude  |
 |  Index  |   a   b   i   j |      NAI      NBJ |     NAIBJ    |              |
 +=============================================================================+
 | 5   6   |   2       1     |       53          |              |    0.973506  |
 +-----------------------------------------------------------------------------+
 | 6 5 5 5 |   7   5   1   2 |       44       72 | (+)     4872 |    0.040489  |
 | 5 5 2 1 |  12   4   1   3 |       33       32 | (+)    11525 |    0.095973  |
 | 5 5 2 1 |  12   4   1   3 |       33       32 | (-)    11525 |   -0.101723  |
 | 1 1 6 5 |   5   5   1   2 |       57       74 | (-)    14405 |    0.048651  |
 +=============================================================================+


          Norm of Printed Amplitude Vector :             0.9855


          Printed all single excitations greater than  0.196266


          Printed all double excitations greater than  0.038466


 *******************************************************************************

 --------------------------
 Symmetry class Nr.:     3
 Multiplicity      :     1
 --------------------------

 Length of Excitation vectors in this class is:     18904
 Converging for  3 roots.
 Start vector guessed from diagonal
 ... selected element no. 55
 Start vector guessed from diagonal
 ... selected element no.***
 Start vector guessed from diagonal
 ... selected element no. 15


 SYMMETRY CLASS NR.    3
 MULTIPLICITY          1


 CC2        right excitation energies:
 ====================================
 (conversion factor used: 1 au = 27.2113957 eV)

 Excitation no.       Hartree               eV 
 --------------       -------               --
         1            0.0780167590        2.1229440035
         2            0.8950387099       24.3552422178
         3            0.9433717115       25.6704500944


 Total excited state energies for states of symmetry/spin    3    1
 Excitation no.       Energy (Hartree) 
 ------------------------------------- 
@@    3    1          -199.209030169211189
@@    3    2          -198.392008218296553
@@    3    3          -198.343675216695743


 Analysis of the Coupled Cluster Excitation Vector Number :  1
 -------------------------------------------------------------

          Excitation Energy :                             2.1229 eV


          CC_PRAM:Overall Contribution of the Different Components
          --------------------------------------------------------



          Single Excitation Contribution :              92.3110 %

          Double Excitation Contribution :               7.6890 %

          ||T1||/||T2||                  :               3.4649

          Norm of Total Amplitude Vector :               1.0000


 +=============================================================================+
 | symmetry|  orbital index  |   Excitation Numbers             |   Amplitude  |
 |  Index  |   a   b   i   j |      NAI      NBJ |     NAIBJ    |              |
 +=============================================================================+
 | 5   7   |   1       1     |       55          |              |    0.956762  |
 +-----------------------------------------------------------------------------+
 | 7 5 1 1 |   7   7   3   3 |       21       35 |        11717 |    0.226918  |
 +=============================================================================+


          Norm of Printed Amplitude Vector :             0.9833

          Printed all single excitations greater than 0.192157

          Printed all double excitations greater than 0.055458


 Analysis of the Coupled Cluster Excitation Vector Number :  2
 -------------------------------------------------------------

          Excitation Energy :                            24.3552 eV


          CC_PRAM:Overall Contribution of the Different Components
          --------------------------------------------------------



          Single Excitation Contribution :              86.8839 %

          Double Excitation Contribution :              13.1161 %

          ||T1||/||T2||                  :               2.5738

          Norm of Total Amplitude Vector :               1.0000


 +=============================================================================+
 | symmetry|  orbital index  |   Excitation Numbers             |   Amplitude  |
 |  Index  |   a   b   i   j |      NAI      NBJ |     NAIBJ    |              |
 +=============================================================================+
 | 1   3   |   1       1     |       25          |              |   -0.833057  |
 | 5   7   |   2       1     |       56          |              |    0.410273  |
 +-----------------------------------------------------------------------------+
 | 7 5 1 1 |   7   7   3   3 |       21       35 |        11717 |    0.083684  |
 | 3 5 5 1 |   4   8   2   3 |       49       36 |        11813 |    0.163732  |
 | 7 1 1 5 |   5  10   1   2 |        5       79 |        14693 |   -0.252825  |
 +=============================================================================+


          Norm of Printed Amplitude Vector :             0.9798

          Printed all single excitations greater than 0.186423

          Printed all double excitations greater than 0.072432


 Analysis of the Coupled Cluster Excitation Vector Number :  3
 -------------------------------------------------------------

          Excitation Energy :                            25.6705 eV


          CC_PRAM:Overall Contribution of the Different Components
          --------------------------------------------------------



          Single Excitation Contribution :              94.1736 %

          Double Excitation Contribution :               5.8264 %

          ||T1||/||T2||                  :               4.0203

          Norm of Total Amplitude Vector :               1.0000


 +=============================================================================+
 | symmetry|  orbital index  |   Excitation Numbers             |   Amplitude  |
 |  Index  |   a   b   i   j |      NAI      NBJ |     NAIBJ    |              |
 +=============================================================================+
 | 1   3   |   1       1     |       25          |              |    0.460982  |
 | 5   7   |   2       1     |       56          |              |    0.850933  |
 +-----------------------------------------------------------------------------+
 | 3 5 5 1 |   4   8   2   3 |       49       36 |        11813 |    0.145911  |
 | 5 1 3 5 |   9  11   1   2 |       33       80 |        14789 |   -0.074536  |
 +=============================================================================+


          Norm of Printed Amplitude Vector :             0.9815

          Printed all single excitations greater than 0.194086

          Printed all double excitations greater than 0.048276


 *******************************************************************************

 --------------------------
 Symmetry class Nr.:     3
 Multiplicity      :     3
 --------------------------

 Length of Excitation vectors in this class is:     37740
 Converging for  3 roots.
 Start vector guessed from diagonal
 ... selected element no. 55
 Start vector guessed from diagonal
 ... selected element no.***
 Start vector guessed from diagonal
 ... selected element no. 15
         2 1.01573738D+00 1.56818032D-02 *** CCRED  WARNING **** COMPLEX VALUE.

         3 1.01573738D+00-1.56818032D-02 *** CCRED  WARNING **** COMPLEX VALUE.


 REDUCED EIGENVALUES real part:

               Column   1
       1       0.04358997
       2       1.01573738
       3       1.01573738
    ==== End of matrix output ====

 REDUCED EIGENVALUES imaginary part:

               Column   1
       2       0.01568180
       3      -0.01568180
    ==== End of matrix output ====
 **WARNING CCRED: COMPLEX EIGENVALUES.


 SYMMETRY CLASS NR.    3
 MULTIPLICITY          3


 CC2        right excitation energies:
 ====================================
 (conversion factor used: 1 au = 27.2113957 eV)

 Excitation no.       Hartree               eV 
 --------------       -------               --
         1            0.0435175291        1.1841722050
         2            0.8774876437       23.8776534127
         3            0.9154376330       24.9103251515


 Total excited state energies for states of symmetry/spin    3    3
 Excitation no.       Energy (Hartree) 
 ------------------------------------- 
@@    3    1          -199.243529399063021
@@    3    2          -198.409559284475392
@@    3    3          -198.371609295203882


 Analysis of the Coupled Cluster Excitation Vector Number :  1
 -------------------------------------------------------------

          Excitation Energy :                             1.1842 eV


     CC_PRAM:Overall Contribution of the Different Components
     --------------------------------------------------------



     Single Excitation Contribution      :         98.1072 %

     Double Excitation Contribution (+/-):          0.3320 %    /    1.5608 % 

     ||T1||/||T2||                       :          7.1995

     Norm of Total Amplitude Vector :          1.0000


 +=============================================================================+
 | symmetry|  orbital index  |   Excitation Numbers             |   Amplitude  |
 |  Index  |   a   b   i   j |      NAI      NBJ |     NAIBJ    |              |
 +=============================================================================+
 | 5   7   |   1       1     |       55          |              |    0.984723  |
 +-----------------------------------------------------------------------------+
 | 7 5 1 1 |   7   7   3   3 |       21       35 | (-)    11717 |   -0.095443  |
 | 7 5 1 1 |   7   8   2   3 |       14       36 | (-)    11778 |    0.030724  |
 +=============================================================================+


          Norm of Printed Amplitude Vector :             0.9898


          Printed all single excitations greater than  0.198098


          Printed all double excitations greater than  0.027516


 Analysis of the Coupled Cluster Excitation Vector Number :  2
 -------------------------------------------------------------

          Excitation Energy :                            23.8777 eV


     CC_PRAM:Overall Contribution of the Different Components
     --------------------------------------------------------



     Single Excitation Contribution      :         95.9024 %

     Double Excitation Contribution (+/-):          1.6279 %    /    2.4697 % 

     ||T1||/||T2||                       :          4.8378

     Norm of Total Amplitude Vector :          1.0000


 +=============================================================================+
 | symmetry|  orbital index  |   Excitation Numbers             |   Amplitude  |
 |  Index  |   a   b   i   j |      NAI      NBJ |     NAIBJ    |              |
 +=============================================================================+
 | 1   3   |   1       1     |       25          |              |   -0.969937  |
 +-----------------------------------------------------------------------------+
 | 5 5 7 5 |   3   9   1   2 |       57       76 | (+)     5157 |    0.106628  |
 | 7 5 1 1 |   7   7   3   3 |       21       35 | (-)    11717 |   -0.046009  |
 | 3 5 5 1 |   4   8   2   3 |       49       36 | (-)    11813 |   -0.041419  |
 | 7 1 1 5 |   5  10   1   2 |        5       79 | (-)    14693 |    0.116807  |
 +=============================================================================+


          Norm of Printed Amplitude Vector :             0.9847


          Printed all single excitations greater than  0.195860


          Printed all double excitations greater than  0.040485


 Analysis of the Coupled Cluster Excitation Vector Number :  3
 -------------------------------------------------------------

          Excitation Energy :                            24.9103 eV


     CC_PRAM:Overall Contribution of the Different Components
     --------------------------------------------------------



     Single Excitation Contribution      :         96.3009 %

     Double Excitation Contribution (+/-):          1.4540 %    /    2.2451 % 

     ||T1||/||T2||                       :          5.1023

     Norm of Total Amplitude Vector :          1.0000


 +=============================================================================+
 | symmetry|  orbital index  |   Excitation Numbers             |   Amplitude  |
 |  Index  |   a   b   i   j |      NAI      NBJ |     NAIBJ    |              |
 +=============================================================================+
 | 5   7   |   2       1     |       56          |              |    0.973506  |
 +-----------------------------------------------------------------------------+
 | 5 5 7 5 |   3   9   1   2 |       57       76 | (+)     5157 |    0.040489  |
 | 3 5 5 1 |   4   8   2   3 |       49       36 | (+)    11813 |    0.095973  |
 | 3 5 5 1 |   4   8   2   3 |       49       36 | (-)    11813 |   -0.101723  |
 | 7 1 1 5 |   5  10   1   2 |        5       79 | (-)    14693 |    0.048651  |
 +=============================================================================+


          Norm of Printed Amplitude Vector :             0.9855


          Printed all single excitations greater than  0.196266


          Printed all double excitations greater than  0.038466


 *******************************************************************************

 --------------------------
 Symmetry class Nr.:     4
 Multiplicity      :     1
 --------------------------

 Length of Excitation vectors in this class is:     17504
 Converging for  3 roots.
 Start vector guessed from diagonal
 ... selected element no.***
 Start vector guessed from diagonal
 ... selected element no.***
 Start vector guessed from diagonal
 ... selected element no. 17


 SYMMETRY CLASS NR.    4
 MULTIPLICITY          1


 CC2        right excitation energies:
 ====================================
 (conversion factor used: 1 au = 27.2113957 eV)

 Excitation no.       Hartree               eV 
 --------------       -------               --
         1            1.0079028968       27.4264329725
         2            1.0091541018       27.4604799923
         3            1.1162423472       30.3744993820


 Total excited state energies for states of symmetry/spin    4    1
 Excitation no.       Energy (Hartree) 
 ------------------------------------- 
@@    4    1          -198.279144031343577
@@    4    2          -198.277892826351433
@@    4    3          -198.170804580959185


 Analysis of the Coupled Cluster Excitation Vector Number :  1
 -------------------------------------------------------------

          Excitation Energy :                            27.4264 eV


          CC_PRAM:Overall Contribution of the Different Components
          --------------------------------------------------------



          Single Excitation Contribution :              90.1157 %

          Double Excitation Contribution :               9.8843 %

          ||T1||/||T2||                  :               3.0194

          Norm of Total Amplitude Vector :               1.0000


 +=============================================================================+
 | symmetry|  orbital index  |   Excitation Numbers             |   Amplitude  |
 |  Index  |   a   b   i   j |      NAI      NBJ |     NAIBJ    |              |
 +=============================================================================+
 | 2   3   |   1       1     |       17          |              |    0.667231  |
 | 3   2   |   1       1     |       10          |              |   -0.667499  |
 +-----------------------------------------------------------------------------+
 | 6 5 3 1 |   1   9   1   3 |       17       37 |        14898 |   -0.078535  |
 | 3 5 6 1 |   4   7   1   2 |       33       21 |        14226 |    0.078569  |
 | 8 1 1 5 |   2  13   1   2 |        2       82 |        16818 |    0.172332  |
 | 6 1 3 5 |   2  10   1   1 |       18       66 |        16146 |   -0.172404  |
 +=============================================================================+


          Norm of Printed Amplitude Vector :             0.9811

          Printed all single excitations greater than 0.189859

          Printed all double excitations greater than 0.062879


 Analysis of the Coupled Cluster Excitation Vector Number :  2
 -------------------------------------------------------------

          Excitation Energy :                            27.4605 eV


          CC_PRAM:Overall Contribution of the Different Components
          --------------------------------------------------------



          Single Excitation Contribution :              89.5727 %

          Double Excitation Contribution :              10.4273 %

          ||T1||/||T2||                  :               2.9309

          Norm of Total Amplitude Vector :               1.0000


 +=============================================================================+
 | symmetry|  orbital index  |   Excitation Numbers             |   Amplitude  |
 |  Index  |   a   b   i   j |      NAI      NBJ |     NAIBJ    |              |
 +=============================================================================+
 | 2   3   |   1       1     |       17          |              |    0.662660  |
 | 3   2   |   1       1     |       10          |              |    0.662421  |
 +-----------------------------------------------------------------------------+
 | 6 5 3 1 |   1   9   1   3 |       17       37 |        14898 |   -0.082964  |
 | 3 5 6 1 |   4   7   1   2 |       33       21 |        14226 |   -0.082934  |
 | 8 1 1 5 |   2  13   1   2 |        2       82 |        16818 |    0.174338  |
 | 6 1 3 5 |   2  10   1   1 |       18       66 |        16146 |    0.174277  |
 +=============================================================================+


          Norm of Printed Amplitude Vector :             0.9759

          Printed all single excitations greater than 0.189286

          Printed all double excitations greater than 0.064583


 Analysis of the Coupled Cluster Excitation Vector Number :  3
 -------------------------------------------------------------

          Excitation Energy :                            30.3745 eV


          CC_PRAM:Overall Contribution of the Different Components
          --------------------------------------------------------



          Single Excitation Contribution :              93.2601 %

          Double Excitation Contribution :               6.7399 %

          ||T1||/||T2||                  :               3.7198

          Norm of Total Amplitude Vector :               1.0000


 +=============================================================================+
 | symmetry|  orbital index  |   Excitation Numbers             |   Amplitude  |
 |  Index  |   a   b   i   j |      NAI      NBJ |     NAIBJ    |              |
 +=============================================================================+
 | 6   7   |   1       1     |       37          |              |    0.669840  |
 | 7   6   |   1       1     |       30          |              |   -0.670018  |
 +-----------------------------------------------------------------------------+
 | 6 5 3 1 |   1   9   1   3 |       17       37 |        14898 |    0.136448  |
 | 3 5 6 1 |   4   7   1   2 |       33       21 |        14226 |   -0.136485  |
 +=============================================================================+


          Norm of Printed Amplitude Vector :             0.9669

          Printed all single excitations greater than 0.193143

          Printed all double excitations greater than 0.051922


 *******************************************************************************

 --------------------------
 Symmetry class Nr.:     4
 Multiplicity      :     3
 --------------------------

 Length of Excitation vectors in this class is:     34965
 Converging for  3 roots.
 Start vector guessed from diagonal
 ... selected element no.***
 Start vector guessed from diagonal
 ... selected element no.***
 Start vector guessed from diagonal
 ... selected element no. 17


 SYMMETRY CLASS NR.    4
 MULTIPLICITY          3


 CC2        right excitation energies:
 ====================================
 (conversion factor used: 1 au = 27.2113957 eV)

 Excitation no.       Hartree               eV 
 --------------       -------               --
         1            0.9898759252       26.9358941215
         2            1.0078155891       27.4240572079
         3            1.0956621037       29.8144824688


 Total excited state energies for states of symmetry/spin    4    3
 Excitation no.       Energy (Hartree) 
 ------------------------------------- 
@@    4    1          -198.297171002968497
@@    4    2          -198.279231339087318
@@    4    3          -198.191384824464620


 Analysis of the Coupled Cluster Excitation Vector Number :  1
 -------------------------------------------------------------

          Excitation Energy :                            26.9359 eV


     CC_PRAM:Overall Contribution of the Different Components
     --------------------------------------------------------



     Single Excitation Contribution      :         96.4234 %

     Double Excitation Contribution (+/-):          1.4870 %    /    2.0897 % 

     ||T1||/||T2||                       :          5.1922

     Norm of Total Amplitude Vector :          1.0000


 +=============================================================================+
 | symmetry|  orbital index  |   Excitation Numbers             |   Amplitude  |
 |  Index  |   a   b   i   j |      NAI      NBJ |     NAIBJ    |              |
 +=============================================================================+
 | 2   3   |   1       1     |       17          |              |    0.692349  |
 | 3   2   |   1       1     |       10          |              |    0.692362  |
 +-----------------------------------------------------------------------------+
 | 8 2 6 1 |   1   1   1   3 |       52       15 | (+)     1004 |   -0.074120  |
 | 3 5 1 6 |   1   4   3   1 |       15       55 | (+)     3687 |   -0.074118  |
 | 8 1 1 5 |   2  13   1   2 |        2       82 | (-)    16818 |   -0.081297  |
 | 6 1 3 5 |   2  10   1   1 |       18       66 | (-)    16146 |   -0.081299  |
 +=============================================================================+


          Norm of Printed Amplitude Vector :             0.9914


          Printed all single excitations greater than  0.196391


          Printed all double excitations greater than  0.037824


 Analysis of the Coupled Cluster Excitation Vector Number :  2
 -------------------------------------------------------------

          Excitation Energy :                            27.4241 eV


     CC_PRAM:Overall Contribution of the Different Components
     --------------------------------------------------------



     Single Excitation Contribution      :         95.4501 %

     Double Excitation Contribution (+/-):          1.8987 %    /    2.6512 % 

     ||T1||/||T2||                       :          4.5802

     Norm of Total Amplitude Vector :          1.0000


 +=============================================================================+
 | symmetry|  orbital index  |   Excitation Numbers             |   Amplitude  |
 |  Index  |   a   b   i   j |      NAI      NBJ |     NAIBJ    |              |
 +=============================================================================+
 | 2   3   |   1       1     |       17          |              |    0.686790  |
 | 3   2   |   1       1     |       10          |              |   -0.686774  |
 +-----------------------------------------------------------------------------+
 | 8 2 6 1 |   1   1   1   3 |       52       15 | (+)     1004 |    0.081251  |
 | 3 5 1 6 |   1   4   3   1 |       15       55 | (+)     3687 |   -0.081254  |
 | 8 1 1 5 |   2  13   1   2 |        2       82 | (-)    16818 |   -0.088722  |
 | 6 1 3 5 |   2  10   1   1 |       18       66 | (-)    16146 |    0.088719  |
 +=============================================================================+


          Norm of Printed Amplitude Vector :             0.9860


          Printed all single excitations greater than  0.195397


          Printed all double excitations greater than  0.042661


 Analysis of the Coupled Cluster Excitation Vector Number :  3
 -------------------------------------------------------------

          Excitation Energy :                            29.8145 eV


     CC_PRAM:Overall Contribution of the Different Components
     --------------------------------------------------------



     Single Excitation Contribution      :         96.3037 %

     Double Excitation Contribution (+/-):          1.5615 %    /    2.1349 % 

     ||T1||/||T2||                       :          5.1043

     Norm of Total Amplitude Vector :          1.0000


 +=============================================================================+
 | symmetry|  orbital index  |   Excitation Numbers             |   Amplitude  |
 |  Index  |   a   b   i   j |      NAI      NBJ |     NAIBJ    |              |
 +=============================================================================+
 | 6   7   |   1       1     |       37          |              |    0.692776  |
 | 7   6   |   1       1     |       30          |              |    0.692808  |
 +-----------------------------------------------------------------------------+
 | 8 2 6 1 |   1   1   1   3 |       52       15 | (+)     1004 |    0.040044  |
 | 3 5 1 6 |   1   4   3   1 |       15       55 | (+)     3687 |    0.040043  |
 | 6 5 3 1 |   1   9   1   3 |       17       37 | (+)    14898 |    0.068997  |
 | 6 5 3 1 |   1   9   1   3 |       17       37 | (-)    14898 |   -0.074979  |
 | 3 5 6 1 |   4   7   1   2 |       33       21 | (+)    14226 |    0.069000  |
 | 3 5 6 1 |   4   7   1   2 |       33       21 | (-)    14226 |   -0.074981  |
 | 8 1 1 5 |   2  13   1   2 |        2       82 | (-)    16818 |    0.041240  |
 | 6 1 3 5 |   2  10   1   1 |       18       66 | (-)    16146 |    0.041242  |
 +=============================================================================+


          Norm of Printed Amplitude Vector :             0.9936


          Printed all single excitations greater than  0.196269


          Printed all double excitations greater than  0.038452


 *******************************************************************************

 --------------------------
 Symmetry class Nr.:     5
 Multiplicity      :     1
 --------------------------

 Length of Excitation vectors in this class is:     20313
 Converging for  3 roots.
 Start vector guessed from diagonal
 ... selected element no. 29
 Start vector guessed from diagonal
 ... selected element no.***
 Start vector guessed from diagonal
 ... selected element no.***


 SYMMETRY CLASS NR.    5
 MULTIPLICITY          1


 CC2        right excitation energies:
 ====================================
 (conversion factor used: 1 au = 27.2113957 eV)

 Excitation no.       Hartree               eV 
 --------------       -------               --
         1            0.4633052598       12.6071774316
         2            0.9639636370       26.2307848918
         3            0.9721320300       26.4530581711


 Total excited state energies for states of symmetry/spin    5    1
 Excitation no.       Energy (Hartree) 
 ------------------------------------- 
@@    5    1          -198.823741668368569
@@    5    2          -198.323083291157502
@@    5    3          -198.314914898194019


 Analysis of the Coupled Cluster Excitation Vector Number :  1
 -------------------------------------------------------------

          Excitation Energy :                            12.6072 eV


          CC_PRAM:Overall Contribution of the Different Components
          --------------------------------------------------------



          Single Excitation Contribution :              96.6232 %

          Double Excitation Contribution :               3.3768 %

          ||T1||/||T2||                  :               5.3492

          Norm of Total Amplitude Vector :               1.0000


 +=============================================================================+
 | symmetry|  orbital index  |   Excitation Numbers             |   Amplitude  |
 |  Index  |   a   b   i   j |      NAI      NBJ |     NAIBJ    |              |
 +=============================================================================+
 | 5   1   |   1       3     |       29          |              |    0.936326  |
 +-----------------------------------------------------------------------------+
 | 5 1 1 1 |  12   3   3   3 |       40       29 |         2728 |    0.061922  |
 | 7 1 3 1 |   5   2   1   2 |       54       15 |         1398 |    0.059110  |
 | 3 1 7 1 |   7   2   1   3 |       96       28 |         2688 |    0.056331  |
 | 2 1 5 2 |   7   1   2   1 |       52       22 |        10600 |    0.047468  |
 | 4 1 6 3 |   3   1   1   1 |       55       25 |        15431 |    0.047468  |
 +=============================================================================+


          Norm of Printed Amplitude Vector :             0.9443

          Printed all single excitations greater than 0.196594

          Printed all double excitations greater than 0.036752


 Analysis of the Coupled Cluster Excitation Vector Number :  2
 -------------------------------------------------------------

          Excitation Energy :                            26.2308 eV


          CC_PRAM:Overall Contribution of the Different Components
          --------------------------------------------------------



          Single Excitation Contribution :              91.4195 %

          Double Excitation Contribution :               8.5805 %

          ||T1||/||T2||                  :               3.2641

          Norm of Total Amplitude Vector :               1.0000


 +=============================================================================+
 | symmetry|  orbital index  |   Excitation Numbers             |   Amplitude  |
 |  Index  |   a   b   i   j |      NAI      NBJ |     NAIBJ    |              |
 +=============================================================================+
 | 2   6   |   1       1     |       83          |              |    0.674997  |
 | 3   7   |   1       1     |       90          |              |   -0.674997  |
 +-----------------------------------------------------------------------------+
 | 5 1 1 1 |  12   3   1   3 |       12       29 |         2700 |    0.153774  |
 | 5 1 1 1 |   5   3   2   3 |       19       29 |         2707 |   -0.153774  |
 | 7 1 3 1 |   5   3   1   3 |       54       29 |         2742 |   -0.072273  |
 | 1 1 5 1 |   5   3   1   3 |       61       29 |         2749 |    0.072273  |
 | 7 6 3 6 |   5   1   1   1 |       54       82 |         7830 |   -0.068811  |
 | 7 7 3 7 |   5   1   1   1 |       54       89 |         8502 |    0.068811  |
 +=============================================================================+


          Norm of Printed Amplitude Vector :             0.9892

          Printed all single excitations greater than 0.191227

          Printed all double excitations greater than 0.058585


 Analysis of the Coupled Cluster Excitation Vector Number :  3
 -------------------------------------------------------------

          Excitation Energy :                            26.4531 eV


          CC_PRAM:Overall Contribution of the Different Components
          --------------------------------------------------------



          Single Excitation Contribution :              85.5231 %

          Double Excitation Contribution :              14.4769 %

          ||T1||/||T2||                  :               2.4305

          Norm of Total Amplitude Vector :               1.0000


 +=============================================================================+
 | symmetry|  orbital index  |   Excitation Numbers             |   Amplitude  |
 |  Index  |   a   b   i   j |      NAI      NBJ |     NAIBJ    |              |
 +=============================================================================+
 | 2   6   |   1       1     |       83          |              |   -0.275525  |
 | 3   7   |   1       1     |       90          |              |   -0.275525  |
 | 5   1   |   1       2     |       15          |              |    0.813777  |
 +-----------------------------------------------------------------------------+
 | 5 1 1 1 |  12   3   3   3 |       40       29 |         2728 |    0.292122  |
 +=============================================================================+


          Norm of Printed Amplitude Vector :             0.9484

          Printed all single excitations greater than 0.184957

          Printed all double excitations greater than 0.076097


 *******************************************************************************

 --------------------------
 Symmetry class Nr.:     5
 Multiplicity      :     3
 --------------------------

 Length of Excitation vectors in this class is:     40530
 Converging for  3 roots.
 Start vector guessed from diagonal
 ... selected element no. 29
 Start vector guessed from diagonal
 ... selected element no.***
 Start vector guessed from diagonal
 ... selected element no.***


 SYMMETRY CLASS NR.    5
 MULTIPLICITY          3


 CC2        right excitation energies:
 ====================================
 (conversion factor used: 1 au = 27.2113957 eV)

 Excitation no.       Hartree               eV 
 --------------       -------               --
         1            0.0813207972        2.2128514569
         2            0.9064436972       24.6655877098
         3            0.9273495252       25.2344642277


 Total excited state energies for states of symmetry/spin    5    3
 Excitation no.       Energy (Hartree) 
 ------------------------------------- 
@@    5    1          -199.205726130993497
@@    5    2          -198.380603230970792
@@    5    3          -198.359697402973836


 Analysis of the Coupled Cluster Excitation Vector Number :  1
 -------------------------------------------------------------

          Excitation Energy :                             2.2129 eV


     CC_PRAM:Overall Contribution of the Different Components
     --------------------------------------------------------



     Single Excitation Contribution      :         99.5375 %

     Double Excitation Contribution (+/-):          0.1115 %    /    0.3509 % 

     ||T1||/||T2||                       :         14.6710

     Norm of Total Amplitude Vector :          1.0000


 +=============================================================================+
 | symmetry|  orbital index  |   Excitation Numbers             |   Amplitude  |
 |  Index  |   a   b   i   j |      NAI      NBJ |     NAIBJ    |              |
 +=============================================================================+
 | 5   1   |   1       3     |       29          |              |    0.990176  |
 +-----------------------------------------------------------------------------+
 | 5 1 1 1 |   1   3   1   3 |        1       29 | (-)     2689 |    0.014327  |
 | 3 1 7 1 |   7   2   1   3 |       96       28 | (-)     2688 |    0.022281  |
 +=============================================================================+


          Norm of Printed Amplitude Vector :             0.9905


          Printed all single excitations greater than  0.199537


          Printed all double excitations greater than  0.013601


 Analysis of the Coupled Cluster Excitation Vector Number :  2
 -------------------------------------------------------------

          Excitation Energy :                            24.6656 eV


     CC_PRAM:Overall Contribution of the Different Components
     --------------------------------------------------------



     Single Excitation Contribution      :         97.8468 %

     Double Excitation Contribution (+/-):          0.7378 %    /    1.4154 % 

     ||T1||/||T2||                       :          6.7411

     Norm of Total Amplitude Vector :          1.0000


 +=============================================================================+
 | symmetry|  orbital index  |   Excitation Numbers             |   Amplitude  |
 |  Index  |   a   b   i   j |      NAI      NBJ |     NAIBJ    |              |
 +=============================================================================+
 | 2   6   |   1       1     |       83          |              |   -0.536299  |
 | 3   7   |   1       1     |       90          |              |   -0.536299  |
 | 5   1   |   1       2     |       15          |              |   -0.595819  |
 +-----------------------------------------------------------------------------+
 | 5 1 1 1 |  12   3   1   3 |       12       29 | (-)     2700 |   -0.054215  |
 | 5 1 1 1 |   5   3   2   3 |       19       29 | (-)     2707 |   -0.054215  |
 | 5 1 1 1 |  12   3   3   3 |       40       29 | (-)     2728 |   -0.047170  |
 | 6 1 1 2 |   1   1   3   1 |       15       22 | (+)    10563 |    0.046295  |
 | 7 1 1 3 |   1   1   3   1 |       15       25 | (+)    15391 |    0.046295  |
 +=============================================================================+


          Norm of Printed Amplitude Vector :             0.9709


          Printed all single excitations greater than  0.197835


          Printed all double excitations greater than  0.029348


 Analysis of the Coupled Cluster Excitation Vector Number :  3
 -------------------------------------------------------------

          Excitation Energy :                            25.2345 eV


     CC_PRAM:Overall Contribution of the Different Components
     --------------------------------------------------------



     Single Excitation Contribution      :         97.8105 %

     Double Excitation Contribution (+/-):          0.6299 %    /    1.5595 % 

     ||T1||/||T2||                       :          6.6838

     Norm of Total Amplitude Vector :          1.0000


 +=============================================================================+
 | symmetry|  orbital index  |   Excitation Numbers             |   Amplitude  |
 |  Index  |   a   b   i   j |      NAI      NBJ |     NAIBJ    |              |
 +=============================================================================+
 | 2   6   |   1       1     |       83          |              |    0.415853  |
 | 3   7   |   1       1     |       90          |              |    0.415853  |
 | 5   1   |   1       2     |       15          |              |   -0.775999  |
 +-----------------------------------------------------------------------------+
 | 5 1 1 1 |  12   3   1   3 |       12       29 | (-)     2700 |    0.041238  |
 | 5 1 1 1 |   5   3   2   3 |       19       29 | (-)     2707 |    0.041238  |
 | 5 1 1 1 |  12   3   3   3 |       40       29 | (-)     2728 |   -0.063667  |
 | 6 1 1 2 |   1   1   3   1 |       15       22 | (+)    10563 |   -0.037649  |
 | 7 1 1 3 |   1   1   3   1 |       15       25 | (+)    15391 |   -0.037649  |
 +=============================================================================+


          Norm of Printed Amplitude Vector :             0.9789


          Printed all single excitations greater than  0.197798


          Printed all double excitations greater than  0.029594


 *******************************************************************************

 --------------------------
 Symmetry class Nr.:     6
 Multiplicity      :     1
 --------------------------

 Length of Excitation vectors in this class is:     18904
 Converging for  3 roots.
 Start vector guessed from diagonal
 ... selected element no. 22
 Start vector guessed from diagonal
 ... selected element no.***
 Start vector guessed from diagonal
 ... selected element no. 53


 SYMMETRY CLASS NR.    6
 MULTIPLICITY          1


 CC2        right excitation energies:
 ====================================
 (conversion factor used: 1 au = 27.2113957 eV)

 Excitation no.       Hartree               eV 
 --------------       -------               --
         1            0.1285999449        3.4993825104
         2            0.8517054387       23.1760839259
         3            0.9810221293       26.6949700797


 Total excited state energies for states of symmetry/spin    6    1
 Excitation no.       Energy (Hartree) 
 ------------------------------------- 
@@    6    1          -199.158446983280072
@@    6    2          -198.435341489503429
@@    6    3          -198.306024798863689


 Analysis of the Coupled Cluster Excitation Vector Number :  1
 -------------------------------------------------------------

          Excitation Energy :                             3.4994 eV


          CC_PRAM:Overall Contribution of the Different Components
          --------------------------------------------------------



          Single Excitation Contribution :              90.8872 %

          Double Excitation Contribution :               9.1128 %

          ||T1||/||T2||                  :               3.1581

          Norm of Total Amplitude Vector :               1.0000


 +=============================================================================+
 | symmetry|  orbital index  |   Excitation Numbers             |   Amplitude  |
 |  Index  |   a   b   i   j |      NAI      NBJ |     NAIBJ    |              |
 +=============================================================================+
 | 5   2   |   1       1     |       22          |              |    0.949606  |
 +-----------------------------------------------------------------------------+
 | 5 2 1 1 |   8   7   3   3 |       36       21 |         1956 |    0.252990  |
 | 1 5 5 6 |   4   8   1   1 |       60       59 |         5628 |   -0.060398  |
 +=============================================================================+


          Norm of Printed Amplitude Vector :             0.9846

          Printed all single excitations greater than 0.190670

          Printed all double excitations greater than 0.060375


 Analysis of the Coupled Cluster Excitation Vector Number :  2
 -------------------------------------------------------------

          Excitation Energy :                            23.1761 eV


          CC_PRAM:Overall Contribution of the Different Components
          --------------------------------------------------------



          Single Excitation Contribution :              90.3506 %

          Double Excitation Contribution :               9.6494 %

          ||T1||/||T2||                  :               3.0600

          Norm of Total Amplitude Vector :               1.0000


 +=============================================================================+
 | symmetry|  orbital index  |   Excitation Numbers             |   Amplitude  |
 |  Index  |   a   b   i   j |      NAI      NBJ |     NAIBJ    |              |
 +=============================================================================+
 | 1   6   |   1       1     |       53          |              |    0.940924  |
 +-----------------------------------------------------------------------------+
 | 5 2 1 1 |   6   7   1   3 |        6       21 |         1926 |    0.219210  |
 | 5 2 1 1 |   8   7   3   3 |       36       21 |         1956 |   -0.077867  |
 | 5 2 1 1 |   9   7   3   3 |       37       21 |         1957 |   -0.105149  |
 | 5 5 1 6 |   2   8   3   1 |       30       59 |         5598 |   -0.064427  |
 +=============================================================================+


          Norm of Printed Amplitude Vector :             0.9771

          Printed all single excitations greater than 0.190106

          Printed all double excitations greater than 0.062127


 Analysis of the Coupled Cluster Excitation Vector Number :  3
 -------------------------------------------------------------

          Excitation Energy :                            26.6950 eV


          CC_PRAM:Overall Contribution of the Different Components
          --------------------------------------------------------



          Single Excitation Contribution :              90.7223 %

          Double Excitation Contribution :               9.2777 %

          ||T1||/||T2||                  :               3.1271

          Norm of Total Amplitude Vector :               1.0000


 +=============================================================================+
 | symmetry|  orbital index  |   Excitation Numbers             |   Amplitude  |
 |  Index  |   a   b   i   j |      NAI      NBJ |     NAIBJ    |              |
 +=============================================================================+
 | 5   2   |   2       1     |       23          |              |    0.936167  |
 +-----------------------------------------------------------------------------+
 | 5 2 1 1 |   6   7   1   3 |        6       21 |         1926 |   -0.069649  |
 | 5 2 1 1 |   7   7   1   3 |        7       21 |         1927 |   -0.082052  |
 | 5 2 1 1 |   9   7   3   3 |       37       21 |         1957 |    0.217035  |
 +=============================================================================+


          Norm of Printed Amplitude Vector :             0.9670

          Printed all single excitations greater than 0.190497

          Printed all double excitations greater than 0.060919


 *******************************************************************************

 --------------------------
 Symmetry class Nr.:     6
 Multiplicity      :     3
 --------------------------

 Length of Excitation vectors in this class is:     37740
 Converging for  3 roots.
 Start vector guessed from diagonal
 ... selected element no. 22
 Start vector guessed from diagonal
 ... selected element no.***
 Start vector guessed from diagonal
 ... selected element no. 53


 SYMMETRY CLASS NR.    6
 MULTIPLICITY          3


 CC2        right excitation energies:
 ====================================
 (conversion factor used: 1 au = 27.2113957 eV)

 Excitation no.       Hartree               eV 
 --------------       -------               --
         1            0.1030271437        2.8035111906
         2            0.8332285814       22.6733030643
         3            0.9638677411       26.2281754318


 Total excited state energies for states of symmetry/spin    6    3
 Excitation no.       Energy (Hartree) 
 ------------------------------------- 
@@    6    1          -199.184019784519307
@@    6    2          -198.453818346753053
@@    6    3          -198.323179187051238


 Analysis of the Coupled Cluster Excitation Vector Number :  1
 -------------------------------------------------------------

          Excitation Energy :                             2.8035 eV


     CC_PRAM:Overall Contribution of the Different Components
     --------------------------------------------------------



     Single Excitation Contribution      :         97.8965 %

     Double Excitation Contribution (+/-):          0.3140 %    /    1.7895 % 

     ||T1||/||T2||                       :          6.8219

     Norm of Total Amplitude Vector :          1.0000


 +=============================================================================+
 | symmetry|  orbital index  |   Excitation Numbers             |   Amplitude  |
 |  Index  |   a   b   i   j |      NAI      NBJ |     NAIBJ    |              |
 +=============================================================================+
 | 5   2   |   1       1     |       22          |              |    0.984002  |
 +-----------------------------------------------------------------------------+
 | 5 2 1 1 |   8   7   3   3 |       36       21 | (-)     1956 |    0.105557  |
 | 1 5 5 6 |   4   8   1   1 |       60       59 | (-)     5628 |   -0.030534  |
 +=============================================================================+


          Norm of Printed Amplitude Vector :             0.9901


          Printed all single excitations greater than  0.197885


          Printed all double excitations greater than  0.029007


 Analysis of the Coupled Cluster Excitation Vector Number :  2
 -------------------------------------------------------------

          Excitation Energy :                            22.6733 eV


     CC_PRAM:Overall Contribution of the Different Components
     --------------------------------------------------------



     Single Excitation Contribution      :         96.4063 %

     Double Excitation Contribution (+/-):          1.4138 %    /    2.1799 % 

     ||T1||/||T2||                       :          5.1794

     Norm of Total Amplitude Vector :          1.0000


 +=============================================================================+
 | symmetry|  orbital index  |   Excitation Numbers             |   Amplitude  |
 |  Index  |   a   b   i   j |      NAI      NBJ |     NAIBJ    |              |
 +=============================================================================+
 | 1   6   |   1       1     |       53          |              |    0.973721  |
 +-----------------------------------------------------------------------------+
 | 5 2 1 1 |   6   7   1   3 |        6       21 | (-)     1926 |    0.105051  |
 | 5 2 1 1 |   8   7   3   3 |       36       21 | (-)     1956 |   -0.044938  |
 | 5 2 1 1 |   9   7   3   3 |       37       21 | (+)     1957 |   -0.039146  |
 | 5 2 1 1 |   9   7   3   3 |       37       21 | (-)     1957 |   -0.040300  |
 | 2 1 5 1 |   5   4   2   3 |       50       30 | (+)     8550 |   -0.096747  |
 +=============================================================================+


          Norm of Printed Amplitude Vector :             0.9868


          Printed all single excitations greater than  0.196373


          Printed all double excitations greater than  0.037914


 Analysis of the Coupled Cluster Excitation Vector Number :  3
 -------------------------------------------------------------

          Excitation Energy :                            26.2282 eV


     CC_PRAM:Overall Contribution of the Different Components
     --------------------------------------------------------



     Single Excitation Contribution      :         95.8181 %

     Double Excitation Contribution (+/-):          1.6313 %    /    2.5507 % 

     ||T1||/||T2||                       :          4.7867

     Norm of Total Amplitude Vector :          1.0000


 +=============================================================================+
 | symmetry|  orbital index  |   Excitation Numbers             |   Amplitude  |
 |  Index  |   a   b   i   j |      NAI      NBJ |     NAIBJ    |              |
 +=============================================================================+
 | 5   2   |   2       1     |       23          |              |    0.972358  |
 +-----------------------------------------------------------------------------+
 | 5 2 1 1 |   6   7   1   3 |        6       21 | (-)     1926 |   -0.049593  |
 | 5 2 1 1 |   9   7   3   3 |       37       21 | (+)     1957 |    0.104991  |
 | 5 2 1 1 |   9   7   3   3 |       37       21 | (-)     1957 |    0.112136  |
 | 2 1 5 1 |   5   4   2   3 |       50       30 | (+)     8550 |    0.041332  |
 +=============================================================================+


          Norm of Printed Amplitude Vector :             0.9865


          Printed all single excitations greater than  0.195773


          Printed all double excitations greater than  0.040900


 *******************************************************************************

 --------------------------
 Symmetry class Nr.:     7
 Multiplicity      :     1
 --------------------------

 Length of Excitation vectors in this class is:     18904
 Converging for  3 roots.
 Start vector guessed from diagonal
 ... selected element no. 25
 Start vector guessed from diagonal
 ... selected element no.***
 Start vector guessed from diagonal
 ... selected element no. 56


 SYMMETRY CLASS NR.    7
 MULTIPLICITY          1


 CC2        right excitation energies:
 ====================================
 (conversion factor used: 1 au = 27.2113957 eV)

 Excitation no.       Hartree               eV 
 --------------       -------               --
         1            0.1285999449        3.4993825104
         2            0.8517054387       23.1760839259
         3            0.9810221293       26.6949700797


 Total excited state energies for states of symmetry/spin    7    1
 Excitation no.       Energy (Hartree) 
 ------------------------------------- 
@@    7    1          -199.158446983280072
@@    7    2          -198.435341489503458
@@    7    3          -198.306024798863689


 Analysis of the Coupled Cluster Excitation Vector Number :  1
 -------------------------------------------------------------

          Excitation Energy :                             3.4994 eV


          CC_PRAM:Overall Contribution of the Different Components
          --------------------------------------------------------



          Single Excitation Contribution :              90.8872 %

          Double Excitation Contribution :               9.1128 %

          ||T1||/||T2||                  :               3.1581

          Norm of Total Amplitude Vector :               1.0000


 +=============================================================================+
 | symmetry|  orbital index  |   Excitation Numbers             |   Amplitude  |
 |  Index  |   a   b   i   j |      NAI      NBJ |     NAIBJ    |              |
 +=============================================================================+
 | 5   3   |   1       1     |       25          |              |    0.949606  |
 +-----------------------------------------------------------------------------+
 | 5 3 1 1 |  11   7   3   3 |       39       21 |         1959 |    0.252990  |
 | 1 5 5 7 |   3  10   1   1 |       59       64 |         6107 |   -0.060398  |
 +=============================================================================+


          Norm of Printed Amplitude Vector :             0.9846

          Printed all single excitations greater than 0.190670

          Printed all double excitations greater than 0.060375


 Analysis of the Coupled Cluster Excitation Vector Number :  2
 -------------------------------------------------------------

          Excitation Energy :                            23.1761 eV


          CC_PRAM:Overall Contribution of the Different Components
          --------------------------------------------------------



          Single Excitation Contribution :              90.3506 %

          Double Excitation Contribution :               9.6494 %

          ||T1||/||T2||                  :               3.0600

          Norm of Total Amplitude Vector :               1.0000


 +=============================================================================+
 | symmetry|  orbital index  |   Excitation Numbers             |   Amplitude  |
 |  Index  |   a   b   i   j |      NAI      NBJ |     NAIBJ    |              |
 +=============================================================================+
 | 1   7   |   1       1     |       56          |              |    0.940924  |
 +-----------------------------------------------------------------------------+
 | 5 3 1 1 |   9   7   1   3 |        9       21 |         1929 |    0.219210  |
 | 5 3 1 1 |  11   7   3   3 |       39       21 |         1959 |   -0.077867  |
 | 5 3 1 1 |  12   7   3   3 |       40       21 |         1960 |   -0.105149  |
 | 5 5 1 7 |   1  10   3   1 |       29       64 |         6077 |   -0.064427  |
 +=============================================================================+


          Norm of Printed Amplitude Vector :             0.9771

          Printed all single excitations greater than 0.190106

          Printed all double excitations greater than 0.062127


 Analysis of the Coupled Cluster Excitation Vector Number :  3
 -------------------------------------------------------------

          Excitation Energy :                            26.6950 eV


          CC_PRAM:Overall Contribution of the Different Components
          --------------------------------------------------------



          Single Excitation Contribution :              90.7223 %

          Double Excitation Contribution :               9.2777 %

          ||T1||/||T2||                  :               3.1271

          Norm of Total Amplitude Vector :               1.0000


 +=============================================================================+
 | symmetry|  orbital index  |   Excitation Numbers             |   Amplitude  |
 |  Index  |   a   b   i   j |      NAI      NBJ |     NAIBJ    |              |
 +=============================================================================+
 | 5   3   |   2       1     |       26          |              |    0.936167  |
 +-----------------------------------------------------------------------------+
 | 5 3 1 1 |   9   7   1   3 |        9       21 |         1929 |   -0.069649  |
 | 5 3 1 1 |  10   7   1   3 |       10       21 |         1930 |   -0.082052  |
 | 5 3 1 1 |  12   7   3   3 |       40       21 |         1960 |    0.217035  |
 +=============================================================================+


          Norm of Printed Amplitude Vector :             0.9670

          Printed all single excitations greater than 0.190497

          Printed all double excitations greater than 0.060919


 *******************************************************************************

 --------------------------
 Symmetry class Nr.:     7
 Multiplicity      :     3
 --------------------------

 Length of Excitation vectors in this class is:     37740
 Converging for  3 roots.
 Start vector guessed from diagonal
 ... selected element no. 25
 Start vector guessed from diagonal
 ... selected element no.***
 Start vector guessed from diagonal
 ... selected element no. 56


 SYMMETRY CLASS NR.    7
 MULTIPLICITY          3


 CC2        right excitation energies:
 ====================================
 (conversion factor used: 1 au = 27.2113957 eV)

 Excitation no.       Hartree               eV 
 --------------       -------               --
         1            0.1030271437        2.8035111906
         2            0.8332285814       22.6733030643
         3            0.9638677411       26.2281754318


 Total excited state energies for states of symmetry/spin    7    3
 Excitation no.       Energy (Hartree) 
 ------------------------------------- 
@@    7    1          -199.184019784519307
@@    7    2          -198.453818346753081
@@    7    3          -198.323179187051238


 Analysis of the Coupled Cluster Excitation Vector Number :  1
 -------------------------------------------------------------

          Excitation Energy :                             2.8035 eV


     CC_PRAM:Overall Contribution of the Different Components
     --------------------------------------------------------



     Single Excitation Contribution      :         97.8965 %

     Double Excitation Contribution (+/-):          0.3140 %    /    1.7895 % 

     ||T1||/||T2||                       :          6.8219

     Norm of Total Amplitude Vector :          1.0000


 +=============================================================================+
 | symmetry|  orbital index  |   Excitation Numbers             |   Amplitude  |
 |  Index  |   a   b   i   j |      NAI      NBJ |     NAIBJ    |              |
 +=============================================================================+
 | 5   3   |   1       1     |       25          |              |    0.984002  |
 +-----------------------------------------------------------------------------+
 | 5 3 1 1 |  11   7   3   3 |       39       21 | (-)     1959 |    0.105557  |
 | 1 5 5 7 |   3  10   1   1 |       59       64 | (-)     6107 |   -0.030534  |
 +=============================================================================+


          Norm of Printed Amplitude Vector :             0.9901


          Printed all single excitations greater than  0.197885


          Printed all double excitations greater than  0.029007


 Analysis of the Coupled Cluster Excitation Vector Number :  2
 -------------------------------------------------------------

          Excitation Energy :                            22.6733 eV


     CC_PRAM:Overall Contribution of the Different Components
     --------------------------------------------------------



     Single Excitation Contribution      :         96.4063 %

     Double Excitation Contribution (+/-):          1.4138 %    /    2.1799 % 

     ||T1||/||T2||                       :          5.1794

     Norm of Total Amplitude Vector :          1.0000


 +=============================================================================+
 | symmetry|  orbital index  |   Excitation Numbers             |   Amplitude  |
 |  Index  |   a   b   i   j |      NAI      NBJ |     NAIBJ    |              |
 +=============================================================================+
 | 1   7   |   1       1     |       56          |              |    0.973721  |
 +-----------------------------------------------------------------------------+
 | 5 3 1 1 |   9   7   1   3 |        9       21 | (-)     1929 |    0.105051  |
 | 5 3 1 1 |  11   7   3   3 |       39       21 | (-)     1959 |   -0.044938  |
 | 5 3 1 1 |  12   7   3   3 |       40       21 | (+)     1960 |   -0.039146  |
 | 5 3 1 1 |  12   7   3   3 |       40       21 | (-)     1960 |   -0.040300  |
 | 1 1 7 1 |   8   8   1   3 |       63       34 | (+)    11759 |   -0.096747  |
 +=============================================================================+


          Norm of Printed Amplitude Vector :             0.9868


          Printed all single excitations greater than  0.196373


          Printed all double excitations greater than  0.037914


 Analysis of the Coupled Cluster Excitation Vector Number :  3
 -------------------------------------------------------------

          Excitation Energy :                            26.2282 eV


     CC_PRAM:Overall Contribution of the Different Components
     --------------------------------------------------------



     Single Excitation Contribution      :         95.8181 %

     Double Excitation Contribution (+/-):          1.6313 %    /    2.5507 % 

     ||T1||/||T2||                       :          4.7867

     Norm of Total Amplitude Vector :          1.0000


 +=============================================================================+
 | symmetry|  orbital index  |   Excitation Numbers             |   Amplitude  |
 |  Index  |   a   b   i   j |      NAI      NBJ |     NAIBJ    |              |
 +=============================================================================+
 | 5   3   |   2       1     |       26          |              |    0.972358  |
 +-----------------------------------------------------------------------------+
 | 5 3 1 1 |   9   7   1   3 |        9       21 | (-)     1929 |   -0.049593  |
 | 5 3 1 1 |  12   7   3   3 |       40       21 | (+)     1960 |    0.104991  |
 | 5 3 1 1 |  12   7   3   3 |       40       21 | (-)     1960 |    0.112136  |
 | 1 1 7 1 |   8   8   1   3 |       63       34 | (+)    11759 |    0.041332  |
 +=============================================================================+


          Norm of Printed Amplitude Vector :             0.9865


          Printed all single excitations greater than  0.195773


          Printed all double excitations greater than  0.040900


 *******************************************************************************

 --------------------------
 Symmetry class Nr.:     8
 Multiplicity      :     1
 --------------------------

 Length of Excitation vectors in this class is:     17504
 Converging for  3 roots.
 Start vector guessed from diagonal
 ... selected element no.***
 Start vector guessed from diagonal
 ... selected element no.***
 Start vector guessed from diagonal
 ... selected element no. 37


 SYMMETRY CLASS NR.    8
 MULTIPLICITY          1


 CC2        right excitation energies:
 ====================================
 (conversion factor used: 1 au = 27.2113957 eV)

 Excitation no.       Hartree               eV 
 --------------       -------               --
         1            0.9629035162       26.2019375364
         2            0.9639632791       26.2307751525
         3            1.1609575441       31.5912617839


 Total excited state energies for states of symmetry/spin    8    1
 Excitation no.       Energy (Hartree) 
 ------------------------------------- 
@@    8    1          -198.324143411996005
@@    8    2          -198.323083649069446
@@    8    3          -198.126089384093319


 Analysis of the Coupled Cluster Excitation Vector Number :  1
 -------------------------------------------------------------

          Excitation Energy :                            26.2019 eV


          CC_PRAM:Overall Contribution of the Different Components
          --------------------------------------------------------



          Single Excitation Contribution :              91.6558 %

          Double Excitation Contribution :               8.3442 %

          ||T1||/||T2||                  :               3.3143

          Norm of Total Amplitude Vector :               1.0000


 +=============================================================================+
 | symmetry|  orbital index  |   Excitation Numbers             |   Amplitude  |
 |  Index  |   a   b   i   j |      NAI      NBJ |     NAIBJ    |              |
 +=============================================================================+
 | 2   7   |   1       1     |       37          |              |    0.676000  |
 | 3   6   |   1       1     |       30          |              |   -0.676265  |
 +-----------------------------------------------------------------------------+
 | 1 3 5 2 |   6   4   1   1 |       62       13 |         1214 |   -0.152948  |
 | 1 3 5 2 |  13   4   1   1 |       69       13 |         1221 |    0.152885  |
 | 1 3 5 2 |  13   4   2   1 |       82       13 |         1234 |    0.070749  |
 | 2 3 6 2 |   7   4   1   1 |       89       13 |         1241 |   -0.070721  |
 +=============================================================================+


          Norm of Printed Amplitude Vector :             0.9854

          Printed all single excitations greater than 0.191474

          Printed all double excitations greater than 0.057773


 Analysis of the Coupled Cluster Excitation Vector Number :  2
 -------------------------------------------------------------

          Excitation Energy :                            26.2308 eV


          CC_PRAM:Overall Contribution of the Different Components
          --------------------------------------------------------



          Single Excitation Contribution :              91.4194 %

          Double Excitation Contribution :               8.5806 %

          ||T1||/||T2||                  :               3.2641

          Norm of Total Amplitude Vector :               1.0000


 +=============================================================================+
 | symmetry|  orbital index  |   Excitation Numbers             |   Amplitude  |
 |  Index  |   a   b   i   j |      NAI      NBJ |     NAIBJ    |              |
 +=============================================================================+
 | 2   7   |   1       1     |       37          |              |    0.675129  |
 | 3   6   |   1       1     |       30          |              |    0.674864  |
 +-----------------------------------------------------------------------------+
 | 1 3 5 2 |   6   4   1   1 |       62       13 |         1214 |    0.153747  |
 | 1 3 5 2 |  13   4   1   1 |       69       13 |         1221 |    0.153804  |
 | 1 3 5 2 |  13   4   2   1 |       82       13 |         1234 |   -0.072259  |
 | 2 3 6 2 |   7   4   1   1 |       89       13 |         1241 |   -0.072290  |
 +=============================================================================+


          Norm of Printed Amplitude Vector :             0.9844

          Printed all single excitations greater than 0.191227

          Printed all double excitations greater than 0.058585


 Analysis of the Coupled Cluster Excitation Vector Number :  3
 -------------------------------------------------------------

          Excitation Energy :                            31.5913 eV


          CC_PRAM:Overall Contribution of the Different Components
          --------------------------------------------------------



          Single Excitation Contribution :              91.5373 %

          Double Excitation Contribution :               8.4627 %

          ||T1||/||T2||                  :               3.2889

          Norm of Total Amplitude Vector :               1.0000


 +=============================================================================+
 | symmetry|  orbital index  |   Excitation Numbers             |   Amplitude  |
 |  Index  |   a   b   i   j |      NAI      NBJ |     NAIBJ    |              |
 +=============================================================================+
 | 6   3   |   1       1     |       17          |              |    0.670894  |
 | 7   2   |   1       1     |       10          |              |   -0.669942  |
 +-----------------------------------------------------------------------------+
 | 1 3 5 2 |   6   4   1   1 |       62       13 |         1214 |    0.062606  |
 | 1 3 5 2 |  13   4   1   1 |       69       13 |         1221 |   -0.062693  |
 | 1 3 5 2 |  13   4   2   1 |       82       13 |         1234 |   -0.156136  |
 | 2 3 6 2 |   7   4   1   1 |       89       13 |         1241 |    0.156358  |
 +=============================================================================+


          Norm of Printed Amplitude Vector :             0.9775

          Printed all single excitations greater than 0.191350

          Printed all double excitations greater than 0.058181


 *******************************************************************************

 --------------------------
 Symmetry class Nr.:     8
 Multiplicity      :     3
 --------------------------

 Length of Excitation vectors in this class is:     34965
 Converging for  3 roots.
 Start vector guessed from diagonal
 ... selected element no.***
 Start vector guessed from diagonal
 ... selected element no.***
 Start vector guessed from diagonal
 ... selected element no. 37


 SYMMETRY CLASS NR.    8
 MULTIPLICITY          3


 CC2        right excitation energies:
 ====================================
 (conversion factor used: 1 au = 27.2113957 eV)

 Excitation no.       Hartree               eV 
 --------------       -------               --
         1            0.9446718044       25.7058274226
         2            0.9633552164       26.2142289238
         3            1.1418149977       31.0703665993


 Total excited state energies for states of symmetry/spin    8    3
 Excitation no.       Energy (Hartree) 
 ------------------------------------- 
@@    8    1          -198.342375123765663
@@    8    2          -198.323691711806077
@@    8    3          -198.145231930487398


 Analysis of the Coupled Cluster Excitation Vector Number :  1
 -------------------------------------------------------------

          Excitation Energy :                            25.7058 eV


     CC_PRAM:Overall Contribution of the Different Components
     --------------------------------------------------------



     Single Excitation Contribution      :         96.7837 %

     Double Excitation Contribution (+/-):          1.3315 %    /    1.8848 % 

     ||T1||/||T2||                       :          5.4856

     Norm of Total Amplitude Vector :          1.0000


 +=============================================================================+
 | symmetry|  orbital index  |   Excitation Numbers             |   Amplitude  |
 |  Index  |   a   b   i   j |      NAI      NBJ |     NAIBJ    |              |
 +=============================================================================+
 | 2   7   |   1       1     |       37          |              |    0.693897  |
 | 3   6   |   1       1     |       30          |              |    0.693914  |
 +-----------------------------------------------------------------------------+
 | 1 3 5 2 |   6   4   1   1 |       62       13 | (-)     1214 |    0.074024  |
 | 1 3 5 2 |  13   4   1   1 |       69       13 | (-)     1221 |    0.074022  |
 | 6 4 1 2 |   1   1   3   1 |       15       22 | (+)     5571 |   -0.068072  |
 | 7 1 1 2 |   1   4   3   1 |       15       25 | (+)    10399 |   -0.068070  |
 +=============================================================================+


          Norm of Printed Amplitude Vector :             0.9916


          Printed all single excitations greater than  0.196757


          Printed all double excitations greater than  0.035868


 Analysis of the Coupled Cluster Excitation Vector Number :  2
 -------------------------------------------------------------

          Excitation Energy :                            26.2142 eV


     CC_PRAM:Overall Contribution of the Different Components
     --------------------------------------------------------



     Single Excitation Contribution      :         96.2498 %

     Double Excitation Contribution (+/-):          1.5558 %    /    2.1944 % 

     ||T1||/||T2||                       :          5.0661

     Norm of Total Amplitude Vector :          1.0000


 +=============================================================================+
 | symmetry|  orbital index  |   Excitation Numbers             |   Amplitude  |
 |  Index  |   a   b   i   j |      NAI      NBJ |     NAIBJ    |              |
 +=============================================================================+
 | 2   7   |   1       1     |       37          |              |    0.692905  |
 | 3   6   |   1       1     |       30          |              |   -0.692861  |
 +-----------------------------------------------------------------------------+
 | 1 3 5 2 |   6   4   1   1 |       62       13 | (-)     1214 |   -0.078374  |
 | 1 3 5 2 |  13   4   1   1 |       69       13 | (-)     1221 |    0.078378  |
 | 6 4 1 2 |   1   1   3   1 |       15       22 | (+)     5571 |    0.072223  |
 | 7 1 1 2 |   1   4   3   1 |       15       25 | (+)    10399 |   -0.072228  |
 +=============================================================================+


          Norm of Printed Amplitude Vector :             0.9914


          Printed all single excitations greater than  0.196214


          Printed all double excitations greater than  0.038731


 Analysis of the Coupled Cluster Excitation Vector Number :  3
 -------------------------------------------------------------

          Excitation Energy :                            31.0704 eV


     CC_PRAM:Overall Contribution of the Different Components
     --------------------------------------------------------



     Single Excitation Contribution      :         95.8861 %

     Double Excitation Contribution (+/-):          1.7130 %    /    2.4009 % 

     ||T1||/||T2||                       :          4.8278

     Norm of Total Amplitude Vector :          1.0000


 +=============================================================================+
 | symmetry|  orbital index  |   Excitation Numbers             |   Amplitude  |
 |  Index  |   a   b   i   j |      NAI      NBJ |     NAIBJ    |              |
 +=============================================================================+
 | 6   3   |   1       1     |       17          |              |    0.691081  |
 | 7   2   |   1       1     |       10          |              |    0.691119  |
 +-----------------------------------------------------------------------------+
 | 1 3 5 2 |  13   4   2   1 |       82       13 | (+)     1234 |    0.075166  |
 | 1 3 5 2 |  13   4   2   1 |       82       13 | (-)     1234 |    0.082384  |
 | 2 3 6 2 |   7   4   1   1 |       89       13 | (+)     1241 |    0.075159  |
 | 2 3 6 2 |   7   4   1   1 |       89       13 | (-)     1241 |    0.082377  |
 +=============================================================================+


          Norm of Printed Amplitude Vector :             0.9900


          Printed all single excitations greater than  0.195843


          Printed all double excitations greater than  0.040566


 CCR12 ANSATZ =   0

 CCR12 APPROX =   0

   

 *******************************************************************
 *                                                                 *
 *----------                                             >---------*
 *---------- OUTPUT FROM COUPLED CLUSTER ENERGY PROGRAM  >---------*
 *----------                                             >---------*
 *                                                                 *
 *******************************************************************

 
             The Direct Coupled Cluster Energy Program
             -----------------------------------------


          Number of t1 amplitudes                 :        95
          Number of t2 amplitudes                 :     20492
          Total number of amplitudes in ccsd      :     20587
 
 Iter.  1: Coupled cluster RSTAR energy :    -199.2870469281928649
 Iter.  1: Coupled cluster CCSD  energy :    -199.2510115509060427
 Iter.  2: Coupled cluster CCSD  energy :    -199.2629094480774938
 Iter.  3: Coupled cluster CCSD  energy :    -199.2736588824780029
 Iter.  4: Coupled cluster CCSD  energy :    -199.2747882818178198
 Iter.  5: Coupled cluster CCSD  energy :    -199.2750278718103516
 Iter.  6: Coupled cluster CCSD  energy :    -199.2750656655850037
 Iter.  7: Coupled cluster CCSD  energy :    -199.2750622668470726
 Iter.  8: Coupled cluster CCSD  energy :    -199.2750306438104246
 Iter.  9: Coupled cluster CCSD  energy :    -199.2750272265878664
 Iter. 10: Coupled cluster CCSD  energy :    -199.2750266970707571
 Iter. 11: Coupled cluster CCSD  energy :    -199.2750259029789390
 Iter. 12: Coupled cluster CCSD  energy :    -199.2750261046133744
 Iter. 13: Coupled cluster CCSD  energy :    -199.2750259605823828
 Iter. 14: Coupled cluster CCSD  energy :    -199.2750259875210475
 Iter. 15: Coupled cluster CCSD  energy :    -199.2750260112582055
 Iter. 16: Coupled cluster CCSD  energy :    -199.2750260460820755
 Iter. 17: Coupled cluster CCSD  energy :    -199.2750260450108613

 CCSD  energy converged to within   0.10D-07 is         -199.275026045011
 Final 2-norm of the CC vector function:  3.93606856D-08





             +-------------------------------------------------------+
             ! Final results from the Coupled Cluster energy program !
             +-------------------------------------------------------+



            Total SCF   energy:                  -198.6740565528

            Total RSTAR energy:                  -199.2870469282

            Total CCSD  energy:                  -199.2750260450




                   +--------------------------------------------+
                   ! Calculating singlet intermediates for CCLR !
                   +--------------------------------------------+



            E-intermediates calculated 
            Fock-intermediate calculated 
            Gamma-intermediate calculated 
            BF-intermediate calculated 
            C-intermediate calculated 
            D-intermediate calculated 






                   +--------------------------------------------+
                   ! Calculating triplet intermediates for CCLR !
                   +--------------------------------------------+



            Triplet D and CD intermediate calculated 
   

 *******************************************************************
 *                                                                 *
 *---------- OUTPUT FROM COUPLED CLUSTER LINEAR RESPONSE >---------*
 *                                                                 *
 *----------     CALCULATION OF EXCITATION ENERGIES      >---------*
 *                                                                 *
 *******************************************************************



                           +---------------------------+
                           !  CCSD Excitation Energies !
                           +---------------------------+


 --------------------------
 Symmetry class Nr.:     1
 Multiplicity      :     1
 --------------------------

 Length of Excitation vectors in this class is:     20587
 Converging for  3 roots.
 Vector nr.  1 of symmetry  1 found on file - RESTART SUCCESS
 Start vector is a CC2       RE  vector
 Vector nr.  2 of symmetry  1 found on file - RESTART SUCCESS
 Start vector is a CC2       RE  vector
 Vector nr.  3 of symmetry  1 found on file - RESTART SUCCESS
 Start vector is a CC2       RE  vector


 SYMMETRY CLASS NR.    1
 MULTIPLICITY          1


 CCSD       right excitation energies:
 ====================================
 (conversion factor used: 1 au = 27.2113957 eV)

 Excitation no.       Hartree               eV 
 --------------       -------               --
         1            0.2621401806        7.1331971711
         2            0.2644530396        7.1961332664
         3            0.6268357175       17.0570675459


 Total excited state energies for states of symmetry/spin    1    1
 Excitation no.       Energy (Hartree) 
 ------------------------------------- 
@@    1    1          -199.012885864411913
@@    1    2          -199.010573005398697
@@    1    3          -198.648190327493637


 Analysis of the Coupled Cluster Excitation Vector Number :  1
 -------------------------------------------------------------

          Excitation Energy :                             7.1332 eV


          CC_PRAM:Overall Contribution of the Different Components
          --------------------------------------------------------



          Single Excitation Contribution :               0.0782 %

          Double Excitation Contribution :              99.9218 %

          ||T1||/||T2||                  :               0.0280

          Norm of Total Amplitude Vector :               1.0000


 +=============================================================================+
 | symmetry|  orbital index  |   Excitation Numbers             |   Amplitude  |
 |  Index  |   a   b   i   j |      NAI      NBJ |     NAIBJ    |              |
 +=============================================================================+
 | 2   2   |   1       1     |       40          |              |   -0.012564  |
 | 3   3   |   1       1     |       47          |              |    0.012564  |
 | 6   6   |   1       1     |       82          |              |    0.013647  |
 | 7   7   |   1       1     |       89          |              |   -0.013647  |
 +-----------------------------------------------------------------------------+
 | 5 5 6 6 |   1   1   1   1 |       52       52 |         5938 |    0.550052  |
 | 5 5 7 7 |   1   1   1   1 |       55       55 |         8446 |   -0.550052  |
 | 5 5 2 2 |   1   1   1   1 |       22       22 |        15107 |   -0.426158  |
 | 5 5 3 3 |   1   1   1   1 |       25       25 |        17525 |    0.426158  |
 +=============================================================================+


          Norm of Printed Amplitude Vector :             0.9844

          Printed all single excitations greater than 0.005593

          Printed all double excitations greater than 0.199922


 Analysis of the Coupled Cluster Excitation Vector Number :  2
 -------------------------------------------------------------

          Excitation Energy :                             7.1961 eV


          CC_PRAM:Overall Contribution of the Different Components
          --------------------------------------------------------



          Single Excitation Contribution :               0.1025 %

          Double Excitation Contribution :              99.8975 %

          ||T1||/||T2||                  :               0.0320

          Norm of Total Amplitude Vector :               1.0000


 +=============================================================================+
 | symmetry|  orbital index  |   Excitation Numbers             |   Amplitude  |
 |  Index  |   a   b   i   j |      NAI      NBJ |     NAIBJ    |              |
 +=============================================================================+
 | 2   2   |   1       1     |       40          |              |    0.012658  |
 | 3   3   |   1       1     |       47          |              |    0.012658  |
 | 5   5   |   1       2     |       68          |              |    0.014767  |
 | 6   6   |   1       1     |       82          |              |   -0.013881  |
 | 7   7   |   1       1     |       89          |              |   -0.013881  |
 +-----------------------------------------------------------------------------+
 | 5 5 6 6 |   1   1   1   1 |       52       52 |         5938 |   -0.544507  |
 | 5 5 7 7 |   1   1   1   1 |       55       55 |         8446 |   -0.544507  |
 | 5 5 2 2 |   1   1   1   1 |       22       22 |        15107 |    0.432885  |
 | 5 5 3 3 |   1   1   1   1 |       25       25 |        17525 |    0.432885  |
 +=============================================================================+


          Norm of Printed Amplitude Vector :             0.9842

          Printed all single excitations greater than 0.006404

          Printed all double excitations greater than 0.199897


 Analysis of the Coupled Cluster Excitation Vector Number :  3
 -------------------------------------------------------------

          Excitation Energy :                            17.0571 eV


          CC_PRAM:Overall Contribution of the Different Components
          --------------------------------------------------------



          Single Excitation Contribution :              13.9658 %

          Double Excitation Contribution :              86.0342 %

          ||T1||/||T2||                  :               0.4029

          Norm of Total Amplitude Vector :               1.0000


 +=============================================================================+
 | symmetry|  orbital index  |   Excitation Numbers             |   Amplitude  |
 |  Index  |   a   b   i   j |      NAI      NBJ |     NAIBJ    |              |
 +=============================================================================+
 | 1   1   |   2       3     |       28          |              |   -0.181742  |
 | 1   1   |   3       3     |       29          |              |   -0.096912  |
 | 5   5   |   1       2     |       68          |              |   -0.298813  |
 +-----------------------------------------------------------------------------+
 | 5 5 1 1 |   1   1   3   3 |       29       29 |        10633 |   -0.866957  |
 +=============================================================================+


          Norm of Printed Amplitude Vector :             0.9399

          Printed all single excitations greater than 0.074742

          Printed all double excitations greater than 0.185509

 --------------------------
 Symmetry class Nr.:     1
 Multiplicity      :     3
 --------------------------

 Length of Excitation vectors in this class is:     41079
 Converging for  3 roots.
 Vector nr.  4 of symmetry  1 found on file - RESTART SUCCESS
 Start vector is a CC2       RE  vector
 Vector nr.  5 of symmetry  1 found on file - RESTART SUCCESS
 Start vector is a CC2       RE  vector
 Vector nr.  6 of symmetry  1 found on file - RESTART SUCCESS
 Start vector is a CC2       RE  vector


 SYMMETRY CLASS NR.    1
 MULTIPLICITY          3


 CCSD       right excitation energies:
 ====================================
 (conversion factor used: 1 au = 27.2113957 eV)

 Excitation no.       Hartree               eV 
 --------------       -------               --
         1            0.8132975862       22.1309530952
         2            0.9648708356       26.2554710208
         3            1.0073931382       27.4125617331


 Total excited state energies for states of symmetry/spin    1    3
 Excitation no.       Energy (Hartree) 
 ------------------------------------- 
@@    1    1          -198.461728458806334
@@    1    2          -198.310155209401614
@@    1    3          -198.267632906845307


 Analysis of the Coupled Cluster Excitation Vector Number :  1
 -------------------------------------------------------------

          Excitation Energy :                            22.1310 eV


     CC_PRAM:Overall Contribution of the Different Components
     --------------------------------------------------------



     Single Excitation Contribution      :         97.0418 %

     Double Excitation Contribution (+/-):          0.1575 %    /    2.8007 % 

     ||T1||/||T2||                       :          5.7275

     Norm of Total Amplitude Vector :          1.0000


 +=============================================================================+
 | symmetry|  orbital index  |   Excitation Numbers             |   Amplitude  |
 |  Index  |   a   b   i   j |      NAI      NBJ |     NAIBJ    |              |
 +=============================================================================+
 | 5   5   |   1       2     |       68          |              |    0.965876  |
 +-----------------------------------------------------------------------------+
 | 5 5 1 1 |   1   1   3   2 |       29       15 | (-)    10619 |    0.123582  |
 +=============================================================================+


          Norm of Printed Amplitude Vector :             0.9737


          Printed all single excitations greater than  0.197020


          Printed all double excitations greater than  0.034399


 Analysis of the Coupled Cluster Excitation Vector Number :  2
 -------------------------------------------------------------

          Excitation Energy :                            26.2555 eV


     CC_PRAM:Overall Contribution of the Different Components
     --------------------------------------------------------



     Single Excitation Contribution      :         98.3104 %

     Double Excitation Contribution (+/-):          0.3445 %    /    1.3451 % 

     ||T1||/||T2||                       :          7.6279

     Norm of Total Amplitude Vector :          1.0000


 +=============================================================================+
 | symmetry|  orbital index  |   Excitation Numbers             |   Amplitude  |
 |  Index  |   a   b   i   j |      NAI      NBJ |     NAIBJ    |              |
 +=============================================================================+
 | 2   2   |   1       1     |       40          |              |    0.599688  |
 | 3   3   |   1       1     |       47          |              |    0.599688  |
 | 6   6   |   1       1     |       82          |              |    0.315281  |
 | 7   7   |   1       1     |       89          |              |    0.315281  |
 +-----------------------------------------------------------------------------+
 | 5 2 6 1 |   1   1   1   3 |       52       15 | (+)     5901 |   -0.026568  |
 | 5 2 6 1 |   1   1   1   3 |       52       15 | (-)     5901 |    0.041791  |
 | 5 3 7 1 |   1   1   1   3 |       55       15 | (+)     8406 |   -0.026568  |
 | 5 3 7 1 |   1   1   1   3 |       55       15 | (-)     8406 |    0.041791  |
 | 2 5 6 1 |   1   1   1   3 |       83       29 | (-)    13630 |   -0.048496  |
 | 3 5 7 1 |   1   1   1   3 |       90       29 | (-)    14232 |   -0.048496  |
 +=============================================================================+


          Norm of Printed Amplitude Vector :             0.9632


          Printed all single excitations greater than  0.198303


          Printed all double excitations greater than  0.025997


 Analysis of the Coupled Cluster Excitation Vector Number :  3
 -------------------------------------------------------------

          Excitation Energy :                            27.4126 eV


     CC_PRAM:Overall Contribution of the Different Components
     --------------------------------------------------------



     Single Excitation Contribution      :         97.9638 %

     Double Excitation Contribution (+/-):          0.2151 %    /    1.8211 % 

     ||T1||/||T2||                       :          6.9363

     Norm of Total Amplitude Vector :          1.0000


 +=============================================================================+
 | symmetry|  orbital index  |   Excitation Numbers             |   Amplitude  |
 |  Index  |   a   b   i   j |      NAI      NBJ |     NAIBJ    |              |
 +=============================================================================+
 | 1   1   |   1       3     |       27          |              |   -0.965769  |
 +-----------------------------------------------------------------------------+
 | 5 5 1 1 |   2   1   3   3 |       30       29 | (-)    10662 |   -0.092901  |
 +=============================================================================+


          Norm of Printed Amplitude Vector :             0.9702


          Printed all single excitations greater than  0.197953


          Printed all double excitations greater than  0.028539


 *******************************************************************************

 --------------------------
 Symmetry class Nr.:     2
 Multiplicity      :     1
 --------------------------

 Length of Excitation vectors in this class is:     18904
 Converging for  3 roots.
 Vector nr.  7 of symmetry  2 found on file - RESTART SUCCESS
 Start vector is a CC2       RE  vector
 Vector nr.  8 of symmetry  2 found on file - RESTART SUCCESS
 Start vector is a CC2       RE  vector
 Vector nr.  9 of symmetry  2 found on file - RESTART SUCCESS
 Start vector is a CC2       RE  vector


 SYMMETRY CLASS NR.    2
 MULTIPLICITY          1


 CCSD       right excitation energies:
 ====================================
 (conversion factor used: 1 au = 27.2113957 eV)

 Excitation no.       Hartree               eV 
 --------------       -------               --
         1            0.0662839259        1.8036773748
         2            0.6320348205       17.1985423351
         3            0.9445259095       25.7018574183


 Total excited state energies for states of symmetry/spin    2    1
 Excitation no.       Energy (Hartree) 
 ------------------------------------- 
@@    2    1          -199.208742119104556
@@    2    2          -198.642991224496541
@@    2    3          -198.330500135560584


 Analysis of the Coupled Cluster Excitation Vector Number :  1
 -------------------------------------------------------------

          Excitation Energy :                             1.8037 eV


          CC_PRAM:Overall Contribution of the Different Components
          --------------------------------------------------------



          Single Excitation Contribution :              85.7837 %

          Double Excitation Contribution :              14.2163 %

          ||T1||/||T2||                  :               2.4565

          Norm of Total Amplitude Vector :               1.0000


 +=============================================================================+
 | symmetry|  orbital index  |   Excitation Numbers             |   Amplitude  |
 |  Index  |   a   b   i   j |      NAI      NBJ |     NAIBJ    |              |
 +=============================================================================+
 | 5   6   |   1       1     |       52          |              |    0.922084  |
 +-----------------------------------------------------------------------------+
 | 6 5 1 1 |   5   3   1   3 |        5       31 |        11429 |    0.346853  |
 +=============================================================================+


          Norm of Printed Amplitude Vector :             0.9852

          Printed all single excitations greater than 0.185239

          Printed all double excitations greater than 0.075409


 Analysis of the Coupled Cluster Excitation Vector Number :  2
 -------------------------------------------------------------

          Excitation Energy :                            17.1985 eV


          CC_PRAM:Overall Contribution of the Different Components
          --------------------------------------------------------



          Single Excitation Contribution :              13.5387 %

          Double Excitation Contribution :              86.4613 %

          ||T1||/||T2||                  :               0.3957

          Norm of Total Amplitude Vector :               1.0000


 +=============================================================================+
 | symmetry|  orbital index  |   Excitation Numbers             |   Amplitude  |
 |  Index  |   a   b   i   j |      NAI      NBJ |     NAIBJ    |              |
 +=============================================================================+
 | 1   2   |   2       1     |       23          |              |   -0.115181  |
 | 5   6   |   1       1     |       52          |              |    0.336642  |
 +-----------------------------------------------------------------------------+
 | 6 5 1 1 |   5   3   1   3 |        5       31 |        11429 |   -0.891582  |
 +=============================================================================+


          Norm of Printed Amplitude Vector :             0.9600

          Printed all single excitations greater than 0.073590

          Printed all double excitations greater than 0.185969


 Analysis of the Coupled Cluster Excitation Vector Number :  3
 -------------------------------------------------------------

          Excitation Energy :                            25.7019 eV


          CC_PRAM:Overall Contribution of the Different Components
          --------------------------------------------------------



          Single Excitation Contribution :              93.3943 %

          Double Excitation Contribution :               6.6057 %

          ||T1||/||T2||                  :               3.7601

          Norm of Total Amplitude Vector :               1.0000


 +=============================================================================+
 | symmetry|  orbital index  |   Excitation Numbers             |   Amplitude  |
 |  Index  |   a   b   i   j |      NAI      NBJ |     NAIBJ    |              |
 +=============================================================================+
 | 1   2   |   1       1     |       22          |              |    0.847143  |
 | 5   6   |   2       1     |       53          |              |    0.462284  |
 +-----------------------------------------------------------------------------+
 | 6 5 5 5 |   7   5   1   2 |       44       72 |         4872 |    0.075343  |
 | 1 5 6 1 |   7   2   1   3 |       59       30 |        11415 |    0.053630  |
 | 1 1 6 5 |   5   5   1   2 |       57       74 |        14405 |    0.139065  |
 +=============================================================================+


          Norm of Printed Amplitude Vector :             0.9794

          Printed all single excitations greater than 0.193281

          Printed all double excitations greater than 0.051403


 *******************************************************************************

 --------------------------
 Symmetry class Nr.:     2
 Multiplicity      :     3
 --------------------------

 Length of Excitation vectors in this class is:     37740
 Converging for  3 roots.
 Vector nr. 10 of symmetry  2 found on file - RESTART SUCCESS
 Start vector is a CC2       RE  vector
 Vector nr. 11 of symmetry  2 found on file - RESTART SUCCESS
 Start vector is a CC2       RE  vector
 Vector nr. 12 of symmetry  2 found on file - RESTART SUCCESS
 Start vector is a CC2       RE  vector


 SYMMETRY CLASS NR.    2
 MULTIPLICITY          3


 CCSD       right excitation energies:
 ====================================
 (conversion factor used: 1 au = 27.2113957 eV)

 Excitation no.       Hartree               eV 
 --------------       -------               --
         1            0.0379001884        1.0313165891
         2            0.5600448936       15.2395967741
         3            0.8974429406       24.4206646632


 Total excited state energies for states of symmetry/spin    2    3
 Excitation no.       Energy (Hartree) 
 ------------------------------------- 
@@    2    1          -199.237125856577393
@@    2    2          -198.714981151429129
@@    2    3          -198.377583104410832


 Analysis of the Coupled Cluster Excitation Vector Number :  1
 -------------------------------------------------------------

          Excitation Energy :                             1.0313 eV


     CC_PRAM:Overall Contribution of the Different Components
     --------------------------------------------------------



     Single Excitation Contribution      :         97.0648 %

     Double Excitation Contribution (+/-):          0.1440 %    /    2.7912 % 

     ||T1||/||T2||                       :          5.7506

     Norm of Total Amplitude Vector :          1.0000


 +=============================================================================+
 | symmetry|  orbital index  |   Excitation Numbers             |   Amplitude  |
 |  Index  |   a   b   i   j |      NAI      NBJ |     NAIBJ    |              |
 +=============================================================================+
 | 5   6   |   1       1     |       52          |              |    0.978956  |
 +-----------------------------------------------------------------------------+
 | 6 5 1 1 |   5   3   1   3 |        5       31 | (-)    11429 |   -0.146516  |
 +=============================================================================+


          Norm of Printed Amplitude Vector :             0.9899


          Printed all single excitations greater than  0.197043


          Printed all double excitations greater than  0.034265


 Analysis of the Coupled Cluster Excitation Vector Number :  2
 -------------------------------------------------------------

          Excitation Energy :                            15.2396 eV


     CC_PRAM:Overall Contribution of the Different Components
     --------------------------------------------------------



     Single Excitation Contribution      :         28.0631 %

     Double Excitation Contribution (+/-):          2.1977 %    /   69.7393 % 

     ||T1||/||T2||                       :          0.6246

     Norm of Total Amplitude Vector :          1.0000


 +=============================================================================+
 | symmetry|  orbital index  |   Excitation Numbers             |   Amplitude  |
 |  Index  |   a   b   i   j |      NAI      NBJ |     NAIBJ    |              |
 +=============================================================================+
 | 1   2   |   2       1     |       23          |              |   -0.207778  |
 | 5   6   |   1       1     |       52          |              |    0.461315  |
 +-----------------------------------------------------------------------------+
 | 6 5 1 1 |   5   3   1   3 |        5       31 | (-)    11429 |    0.803655  |
 +=============================================================================+


          Norm of Printed Amplitude Vector :             0.9497


          Printed all single excitations greater than  0.105949


          Printed all double excitations greater than  0.169631


 Analysis of the Coupled Cluster Excitation Vector Number :  3
 -------------------------------------------------------------

          Excitation Energy :                            24.4207 eV


     CC_PRAM:Overall Contribution of the Different Components
     --------------------------------------------------------



     Single Excitation Contribution      :         97.7985 %

     Double Excitation Contribution (+/-):          0.2777 %    /    1.9238 % 

     ||T1||/||T2||                       :          6.6652

     Norm of Total Amplitude Vector :          1.0000


 +=============================================================================+
 | symmetry|  orbital index  |   Excitation Numbers             |   Amplitude  |
 |  Index  |   a   b   i   j |      NAI      NBJ |     NAIBJ    |              |
 +=============================================================================+
 | 1   2   |   1       1     |       22          |              |   -0.811291  |
 | 5   6   |   2       1     |       53          |              |   -0.556284  |
 +-----------------------------------------------------------------------------+
 | 6 5 5 5 |   7   5   1   2 |       44       72 | (+)     4872 |    0.030204  |
 | 6 5 5 5 |   7   5   1   2 |       44       72 | (-)     4872 |   -0.066447  |
 | 6 5 1 1 |   6   3   1   3 |        6       31 | (-)    11430 |   -0.045859  |
 | 1 1 6 5 |   5   5   1   2 |       57       74 | (-)    14405 |    0.058580  |
 +=============================================================================+


          Norm of Printed Amplitude Vector :             0.9892


          Printed all single excitations greater than  0.197786


          Printed all double excitations greater than  0.029675


 *******************************************************************************

 --------------------------
 Symmetry class Nr.:     3
 Multiplicity      :     1
 --------------------------

 Length of Excitation vectors in this class is:     18904
 Converging for  3 roots.
 Vector nr. 13 of symmetry  3 found on file - RESTART SUCCESS
 Start vector is a CC2       RE  vector
 Vector nr. 14 of symmetry  3 found on file - RESTART SUCCESS
 Start vector is a CC2       RE  vector
 Vector nr. 15 of symmetry  3 found on file - RESTART SUCCESS
 Start vector is a CC2       RE  vector


 SYMMETRY CLASS NR.    3
 MULTIPLICITY          1


 CCSD       right excitation energies:
 ====================================
 (conversion factor used: 1 au = 27.2113957 eV)

 Excitation no.       Hartree               eV 
 --------------       -------               --
         1            0.0662839259        1.8036773748
         2            0.6320348205       17.1985423351
         3            0.9445259095       25.7018574183


 Total excited state energies for states of symmetry/spin    3    1
 Excitation no.       Energy (Hartree) 
 ------------------------------------- 
@@    3    1          -199.208742119104556
@@    3    2          -198.642991224496541
@@    3    3          -198.330500135560584


 Analysis of the Coupled Cluster Excitation Vector Number :  1
 -------------------------------------------------------------

          Excitation Energy :                             1.8037 eV


          CC_PRAM:Overall Contribution of the Different Components
          --------------------------------------------------------



          Single Excitation Contribution :              85.7837 %

          Double Excitation Contribution :              14.2163 %

          ||T1||/||T2||                  :               2.4565

          Norm of Total Amplitude Vector :               1.0000


 +=============================================================================+
 | symmetry|  orbital index  |   Excitation Numbers             |   Amplitude  |
 |  Index  |   a   b   i   j |      NAI      NBJ |     NAIBJ    |              |
 +=============================================================================+
 | 5   7   |   1       1     |       55          |              |    0.922084  |
 +-----------------------------------------------------------------------------+
 | 7 5 1 1 |   7   7   3   3 |       21       35 |        11717 |    0.346853  |
 +=============================================================================+


          Norm of Printed Amplitude Vector :             0.9852

          Printed all single excitations greater than 0.185239

          Printed all double excitations greater than 0.075409


 Analysis of the Coupled Cluster Excitation Vector Number :  2
 -------------------------------------------------------------

          Excitation Energy :                            17.1985 eV


          CC_PRAM:Overall Contribution of the Different Components
          --------------------------------------------------------



          Single Excitation Contribution :              13.5387 %

          Double Excitation Contribution :              86.4613 %

          ||T1||/||T2||                  :               0.3957

          Norm of Total Amplitude Vector :               1.0000


 +=============================================================================+
 | symmetry|  orbital index  |   Excitation Numbers             |   Amplitude  |
 |  Index  |   a   b   i   j |      NAI      NBJ |     NAIBJ    |              |
 +=============================================================================+
 | 1   3   |   2       1     |       26          |              |   -0.115181  |
 | 5   7   |   1       1     |       55          |              |    0.336642  |
 +-----------------------------------------------------------------------------+
 | 7 5 1 1 |   7   7   3   3 |       21       35 |        11717 |   -0.891582  |
 +=============================================================================+


          Norm of Printed Amplitude Vector :             0.9600

          Printed all single excitations greater than 0.073590

          Printed all double excitations greater than 0.185969


 Analysis of the Coupled Cluster Excitation Vector Number :  3
 -------------------------------------------------------------

          Excitation Energy :                            25.7019 eV


          CC_PRAM:Overall Contribution of the Different Components
          --------------------------------------------------------



          Single Excitation Contribution :              93.3943 %

          Double Excitation Contribution :               6.6057 %

          ||T1||/||T2||                  :               3.7601

          Norm of Total Amplitude Vector :               1.0000


 +=============================================================================+
 | symmetry|  orbital index  |   Excitation Numbers             |   Amplitude  |
 |  Index  |   a   b   i   j |      NAI      NBJ |     NAIBJ    |              |
 +=============================================================================+
 | 1   3   |   1       1     |       25          |              |    0.847143  |
 | 5   7   |   2       1     |       56          |              |    0.462284  |
 +-----------------------------------------------------------------------------+
 | 5 5 7 5 |   3   9   1   2 |       57       76 |         5157 |    0.075343  |
 | 7 5 1 1 |   7   7   1   3 |        7       35 |        11703 |    0.053630  |
 | 7 1 1 5 |   5  10   1   2 |        5       79 |        14693 |    0.139065  |
 +=============================================================================+


          Norm of Printed Amplitude Vector :             0.9794

          Printed all single excitations greater than 0.193281

          Printed all double excitations greater than 0.051403


 *******************************************************************************

 --------------------------
 Symmetry class Nr.:     3
 Multiplicity      :     3
 --------------------------

 Length of Excitation vectors in this class is:     37740
 Converging for  3 roots.
 Vector nr. 16 of symmetry  3 found on file - RESTART SUCCESS
 Start vector is a CC2       RE  vector
 Vector nr. 17 of symmetry  3 found on file - RESTART SUCCESS
 Start vector is a CC2       RE  vector
 Vector nr. 18 of symmetry  3 found on file - RESTART SUCCESS
 Start vector is a CC2       RE  vector


 SYMMETRY CLASS NR.    3
 MULTIPLICITY          3


 CCSD       right excitation energies:
 ====================================
 (conversion factor used: 1 au = 27.2113957 eV)

 Excitation no.       Hartree               eV 
 --------------       -------               --
         1            0.0379001884        1.0313165891
         2            0.5600448936       15.2395967741
         3            0.8974429406       24.4206646632


 Total excited state energies for states of symmetry/spin    3    3
 Excitation no.       Energy (Hartree) 
 ------------------------------------- 
@@    3    1          -199.237125856577421
@@    3    2          -198.714981151429129
@@    3    3          -198.377583104410832


 Analysis of the Coupled Cluster Excitation Vector Number :  1
 -------------------------------------------------------------

          Excitation Energy :                             1.0313 eV


     CC_PRAM:Overall Contribution of the Different Components
     --------------------------------------------------------



     Single Excitation Contribution      :         97.0648 %

     Double Excitation Contribution (+/-):          0.1440 %    /    2.7912 % 

     ||T1||/||T2||                       :          5.7506

     Norm of Total Amplitude Vector :          1.0000


 +=============================================================================+
 | symmetry|  orbital index  |   Excitation Numbers             |   Amplitude  |
 |  Index  |   a   b   i   j |      NAI      NBJ |     NAIBJ    |              |
 +=============================================================================+
 | 5   7   |   1       1     |       55          |              |    0.978956  |
 +-----------------------------------------------------------------------------+
 | 7 5 1 1 |   7   7   3   3 |       21       35 | (-)    11717 |   -0.146516  |
 +=============================================================================+


          Norm of Printed Amplitude Vector :             0.9899


          Printed all single excitations greater than  0.197043


          Printed all double excitations greater than  0.034265


 Analysis of the Coupled Cluster Excitation Vector Number :  2
 -------------------------------------------------------------

          Excitation Energy :                            15.2396 eV


     CC_PRAM:Overall Contribution of the Different Components
     --------------------------------------------------------



     Single Excitation Contribution      :         28.0631 %

     Double Excitation Contribution (+/-):          2.1977 %    /   69.7393 % 

     ||T1||/||T2||                       :          0.6246

     Norm of Total Amplitude Vector :          1.0000


 +=============================================================================+
 | symmetry|  orbital index  |   Excitation Numbers             |   Amplitude  |
 |  Index  |   a   b   i   j |      NAI      NBJ |     NAIBJ    |              |
 +=============================================================================+
 | 1   3   |   2       1     |       26          |              |   -0.207778  |
 | 5   7   |   1       1     |       55          |              |    0.461315  |
 +-----------------------------------------------------------------------------+
 | 7 5 1 1 |   7   7   3   3 |       21       35 | (-)    11717 |    0.803655  |
 +=============================================================================+


          Norm of Printed Amplitude Vector :             0.9497


          Printed all single excitations greater than  0.105949


          Printed all double excitations greater than  0.169631


 Analysis of the Coupled Cluster Excitation Vector Number :  3
 -------------------------------------------------------------

          Excitation Energy :                            24.4207 eV


     CC_PRAM:Overall Contribution of the Different Components
     --------------------------------------------------------



     Single Excitation Contribution      :         97.7985 %

     Double Excitation Contribution (+/-):          0.2777 %    /    1.9238 % 

     ||T1||/||T2||                       :          6.6652

     Norm of Total Amplitude Vector :          1.0000


 +=============================================================================+
 | symmetry|  orbital index  |   Excitation Numbers             |   Amplitude  |
 |  Index  |   a   b   i   j |      NAI      NBJ |     NAIBJ    |              |
 +=============================================================================+
 | 1   3   |   1       1     |       25          |              |   -0.811291  |
 | 5   7   |   2       1     |       56          |              |   -0.556284  |
 +-----------------------------------------------------------------------------+
 | 5 5 7 5 |   3   9   1   2 |       57       76 | (+)     5157 |    0.030204  |
 | 5 5 7 5 |   3   9   1   2 |       57       76 | (-)     5157 |   -0.066447  |
 | 8 5 2 1 |   1   7   1   3 |       22       35 | (-)    11718 |   -0.045859  |
 | 7 1 1 5 |   5  10   1   2 |        5       79 | (-)    14693 |    0.058580  |
 +=============================================================================+


          Norm of Printed Amplitude Vector :             0.9892


          Printed all single excitations greater than  0.197786


          Printed all double excitations greater than  0.029675


 *******************************************************************************

 --------------------------
 Symmetry class Nr.:     4
 Multiplicity      :     1
 --------------------------

 Length of Excitation vectors in this class is:     17504
 Converging for  3 roots.
 Vector nr. 19 of symmetry  4 found on file - RESTART SUCCESS
 Start vector is a CC2       RE  vector
 Vector nr. 20 of symmetry  4 found on file - RESTART SUCCESS
 Start vector is a CC2       RE  vector
 Vector nr. 21 of symmetry  4 found on file - RESTART SUCCESS
 Start vector is a CC2       RE  vector


 SYMMETRY CLASS NR.    4
 MULTIPLICITY          1


 CCSD       right excitation energies:
 ====================================
 (conversion factor used: 1 au = 27.2113957 eV)

 Excitation no.       Hartree               eV 
 --------------       -------               --
         1            0.2621397788        7.1331862371
         2            0.7519093442       20.4604940551
         3            1.0459658751       28.4621792970


 Total excited state energies for states of symmetry/spin    4    1
 Excitation no.       Energy (Hartree) 
 ------------------------------------- 
@@    4    1          -199.012886266229344
@@    4    2          -198.523116700846117
@@    4    3          -198.229060169943722


 Analysis of the Coupled Cluster Excitation Vector Number :  1
 -------------------------------------------------------------

          Excitation Energy :                             7.1332 eV


          CC_PRAM:Overall Contribution of the Different Components
          --------------------------------------------------------



          Single Excitation Contribution :               0.0397 %

          Double Excitation Contribution :              99.9603 %

          ||T1||/||T2||                  :               0.0199

          Norm of Total Amplitude Vector :               1.0000


 +=============================================================================+
 | symmetry|  orbital index  |   Excitation Numbers             |   Amplitude  |
 |  Index  |   a   b   i   j |      NAI      NBJ |     NAIBJ    |              |
 +=============================================================================+
 | 2   3   |   1       1     |       17          |              |   -0.008952  |
 | 3   2   |   1       1     |       10          |              |   -0.008952  |
 | 6   7   |   1       1     |       37          |              |    0.009722  |
 | 7   6   |   1       1     |       30          |              |    0.009722  |
 +-----------------------------------------------------------------------------+
 | 8 5 6 6 |   1   4   1   1 |       52       55 |         3724 |    0.783826  |
 | 8 5 2 2 |   1   4   1   1 |       22       25 |        10363 |   -0.607274  |
 +=============================================================================+


          Norm of Printed Amplitude Vector :             0.9917

          Printed all single excitations greater than 0.003984

          Printed all double excitations greater than 0.199960


 Analysis of the Coupled Cluster Excitation Vector Number :  2
 -------------------------------------------------------------

          Excitation Energy :                            20.4605 eV


          CC_PRAM:Overall Contribution of the Different Components
          --------------------------------------------------------



          Single Excitation Contribution :               0.2608 %

          Double Excitation Contribution :              99.7392 %

          ||T1||/||T2||                  :               0.0511

          Norm of Total Amplitude Vector :               1.0000


 +=============================================================================+
 | symmetry|  orbital index  |   Excitation Numbers             |   Amplitude  |
 |  Index  |   a   b   i   j |      NAI      NBJ |     NAIBJ    |              |
 +=============================================================================+
 | 2   3   |   1       1     |       17          |              |   -0.029179  |
 | 3   2   |   1       1     |       10          |              |   -0.029179  |
 | 6   7   |   1       1     |       37          |              |   -0.019990  |
 | 7   6   |   1       1     |       30          |              |   -0.019990  |
 +-----------------------------------------------------------------------------+
 | 8 5 6 6 |   1   4   1   1 |       52       55 |         3724 |   -0.583012  |
 | 8 5 2 2 |   1   4   1   1 |       22       25 |        10363 |   -0.759850  |
 +=============================================================================+


          Norm of Printed Amplitude Vector :             0.9590

          Printed all single excitations greater than 0.010213

          Printed all double excitations greater than 0.199739


 Analysis of the Coupled Cluster Excitation Vector Number :  3
 -------------------------------------------------------------

          Excitation Energy :                            28.4622 eV


          CC_PRAM:Overall Contribution of the Different Components
          --------------------------------------------------------



          Single Excitation Contribution :              93.3905 %

          Double Excitation Contribution :               6.6095 %

          ||T1||/||T2||                  :               3.7590

          Norm of Total Amplitude Vector :               1.0000


 +=============================================================================+
 | symmetry|  orbital index  |   Excitation Numbers             |   Amplitude  |
 |  Index  |   a   b   i   j |      NAI      NBJ |     NAIBJ    |              |
 +=============================================================================+
 | 2   3   |   1       1     |       17          |              |    0.652931  |
 | 3   2   |   1       1     |       10          |              |   -0.652929  |
 | 6   7   |   1       1     |       37          |              |    0.199639  |
 | 7   6   |   1       1     |       30          |              |   -0.199639  |
 +-----------------------------------------------------------------------------+
 | 8 2 6 1 |   1   1   1   3 |       52       15 |         1004 |   -0.070976  |
 | 3 5 1 6 |   1   4   3   1 |       15       55 |         3687 |    0.070976  |
 | 8 1 1 5 |   2  13   1   2 |        2       82 |        16818 |    0.126177  |
 | 6 1 3 5 |   2  10   1   1 |       18       66 |        16146 |   -0.126176  |
 +=============================================================================+


          Norm of Printed Amplitude Vector :             0.9870

          Printed all single excitations greater than 0.193278

          Printed all double excitations greater than 0.051418


 *******************************************************************************

 --------------------------
 Symmetry class Nr.:     4
 Multiplicity      :     3
 --------------------------

 Length of Excitation vectors in this class is:     34965
 Converging for  3 roots.
 Vector nr. 22 of symmetry  4 found on file - RESTART SUCCESS
 Start vector is a CC2       RE  vector
 Vector nr. 23 of symmetry  4 found on file - RESTART SUCCESS
 Start vector is a CC2       RE  vector
 Vector nr. 24 of symmetry  4 found on file - RESTART SUCCESS
 Start vector is a CC2       RE  vector


 SYMMETRY CLASS NR.    4
 MULTIPLICITY          3


 CCSD       right excitation energies:
 ====================================
 (conversion factor used: 1 au = 27.2113957 eV)

 Excitation no.       Hartree               eV 
 --------------       -------               --
         1            0.2589081467        7.0452490540
         2            0.6681880342       18.1823213225
         3            1.0135932611       27.5812756606


 Total excited state energies for states of symmetry/spin    4    3
 Excitation no.       Energy (Hartree) 
 ------------------------------------- 
@@    4    1          -199.016117898346067
@@    4    2          -198.606838010832547
@@    4    3          -198.261432783902620


 Analysis of the Coupled Cluster Excitation Vector Number :  1
 -------------------------------------------------------------

          Excitation Energy :                             7.0452 eV


     CC_PRAM:Overall Contribution of the Different Components
     --------------------------------------------------------



     Single Excitation Contribution      :          0.1528 %

     Double Excitation Contribution (+/-):          0.0607 %    /   99.7865 % 

     ||T1||/||T2||                       :          0.0391

     Norm of Total Amplitude Vector :          1.0000


 +=============================================================================+
 | symmetry|  orbital index  |   Excitation Numbers             |   Amplitude  |
 |  Index  |   a   b   i   j |      NAI      NBJ |     NAIBJ    |              |
 +=============================================================================+
 | 2   3   |   1       1     |       17          |              |    0.016570  |
 | 3   2   |   1       1     |       10          |              |   -0.016570  |
 | 6   7   |   1       1     |       37          |              |   -0.019814  |
 | 7   6   |   1       1     |       30          |              |    0.019814  |
 +-----------------------------------------------------------------------------+
 | 8 5 6 6 |   1   4   1   1 |       52       55 | (-)     3724 |    0.800494  |
 | 8 5 2 2 |   1   4   1   1 |       22       25 | (-)    10363 |   -0.583310  |
 +=============================================================================+


          Norm of Printed Amplitude Vector :             0.9911


          Printed all single excitations greater than  0.007818


          Printed all double excitations greater than  0.199847


 Analysis of the Coupled Cluster Excitation Vector Number :  2
 -------------------------------------------------------------

          Excitation Energy :                            18.1823 eV


     CC_PRAM:Overall Contribution of the Different Components
     --------------------------------------------------------



     Single Excitation Contribution      :          0.7424 %

     Double Excitation Contribution (+/-):          0.0932 %    /   99.1644 % 

     ||T1||/||T2||                       :          0.0865

     Norm of Total Amplitude Vector :          1.0000


 +=============================================================================+
 | symmetry|  orbital index  |   Excitation Numbers             |   Amplitude  |
 |  Index  |   a   b   i   j |      NAI      NBJ |     NAIBJ    |              |
 +=============================================================================+
 | 2   3   |   1       1     |       17          |              |    0.049446  |
 | 3   2   |   1       1     |       10          |              |   -0.049446  |
 | 6   7   |   1       1     |       37          |              |    0.032724  |
 | 7   6   |   1       1     |       30          |              |   -0.032724  |
 +-----------------------------------------------------------------------------+
 | 8 5 6 6 |   1   4   1   1 |       52       55 | (-)     3724 |   -0.557376  |
 | 8 5 2 2 |   1   4   1   1 |       22       25 | (-)    10363 |   -0.775811  |
 +=============================================================================+


          Norm of Printed Amplitude Vector :             0.9589


          Printed all single excitations greater than  0.017233


          Printed all double excitations greater than  0.199256


 Analysis of the Coupled Cluster Excitation Vector Number :  3
 -------------------------------------------------------------

          Excitation Energy :                            27.5813 eV


     CC_PRAM:Overall Contribution of the Different Components
     --------------------------------------------------------



     Single Excitation Contribution      :         98.0743 %

     Double Excitation Contribution (+/-):          0.2624 %    /    1.6633 % 

     ||T1||/||T2||                       :          7.1365

     Norm of Total Amplitude Vector :          1.0000


 +=============================================================================+
 | symmetry|  orbital index  |   Excitation Numbers             |   Amplitude  |
 |  Index  |   a   b   i   j |      NAI      NBJ |     NAIBJ    |              |
 +=============================================================================+
 | 2   3   |   1       1     |       17          |              |    0.646067  |
 | 3   2   |   1       1     |       10          |              |    0.646067  |
 | 6   7   |   1       1     |       37          |              |    0.267752  |
 | 7   6   |   1       1     |       30          |              |    0.267752  |
 +-----------------------------------------------------------------------------+
 | 8 2 6 1 |   1   1   1   3 |       52       15 | (-)     1004 |   -0.042909  |
 | 3 5 1 6 |   1   4   3   1 |       15       55 | (-)     3687 |    0.042909  |
 | 8 1 1 5 |   2  13   1   2 |        2       82 | (-)    16818 |   -0.058901  |
 | 6 1 3 5 |   2  10   1   1 |       18       66 | (-)    16146 |   -0.058901  |
 +=============================================================================+


          Norm of Printed Amplitude Vector :             0.9944


          Printed all single excitations greater than  0.198065


          Printed all double excitations greater than  0.027754


 *******************************************************************************

 --------------------------
 Symmetry class Nr.:     5
 Multiplicity      :     1
 --------------------------

 Length of Excitation vectors in this class is:     20313
 Converging for  3 roots.
 Vector nr. 25 of symmetry  5 found on file - RESTART SUCCESS
 Start vector is a CC2       RE  vector
 Vector nr. 26 of symmetry  5 found on file - RESTART SUCCESS
 Start vector is a CC2       RE  vector
 Vector nr. 27 of symmetry  5 found on file - RESTART SUCCESS
 Start vector is a CC2       RE  vector


 SYMMETRY CLASS NR.    5
 MULTIPLICITY          1


 CCSD       right excitation energies:
 ====================================
 (conversion factor used: 1 au = 27.2113957 eV)

 Excitation no.       Hartree               eV 
 --------------       -------               --
         1            0.4625573657       12.5868261964
         2            0.7820768142       21.2813926737
         3            0.9385224022       25.5384936770


 Total excited state energies for states of symmetry/spin    5    1
 Excitation no.       Energy (Hartree) 
 ------------------------------------- 
@@    5    1          -198.812468679341606
@@    5    2          -198.492949230782074
@@    5    3          -198.336503642772840


 Analysis of the Coupled Cluster Excitation Vector Number :  1
 -------------------------------------------------------------

          Excitation Energy :                            12.5868 eV


          CC_PRAM:Overall Contribution of the Different Components
          --------------------------------------------------------



          Single Excitation Contribution :              92.7516 %

          Double Excitation Contribution :               7.2484 %

          ||T1||/||T2||                  :               3.5772

          Norm of Total Amplitude Vector :               1.0000


 +=============================================================================+
 | symmetry|  orbital index  |   Excitation Numbers             |   Amplitude  |
 |  Index  |   a   b   i   j |      NAI      NBJ |     NAIBJ    |              |
 +=============================================================================+
 | 5   1   |   1       3     |       29          |              |    0.913459  |
 +-----------------------------------------------------------------------------+
 | 5 1 1 1 |  12   3   3   3 |       40       29 |         2728 |    0.101230  |
 | 3 1 7 1 |   7   2   1   3 |       96       28 |         2688 |    0.102306  |
 | 2 1 5 2 |   7   1   2   1 |       52       22 |        10600 |    0.111760  |
 | 4 1 6 3 |   3   1   1   1 |       55       25 |        15431 |    0.111760  |
 +=============================================================================+


          Norm of Printed Amplitude Vector :             0.9381

          Printed all single excitations greater than 0.192615

          Printed all double excitations greater than 0.053846


 Analysis of the Coupled Cluster Excitation Vector Number :  2
 -------------------------------------------------------------

          Excitation Energy :                            21.2814 eV


          CC_PRAM:Overall Contribution of the Different Components
          --------------------------------------------------------



          Single Excitation Contribution :               7.5961 %

          Double Excitation Contribution :              92.4039 %

          ||T1||/||T2||                  :               0.2867

          Norm of Total Amplitude Vector :               1.0000


 +=============================================================================+
 | symmetry|  orbital index  |   Excitation Numbers             |   Amplitude  |
 |  Index  |   a   b   i   j |      NAI      NBJ |     NAIBJ    |              |
 +=============================================================================+
 | 5   1   |   1       2     |       15          |              |    0.248998  |
 | 5   1   |   1       3     |       29          |              |    0.109673  |
 +-----------------------------------------------------------------------------+
 | 2 1 5 2 |   7   1   2   1 |       52       22 |        10600 |   -0.636951  |
 | 4 1 6 3 |   3   1   1   1 |       55       25 |        15431 |   -0.636951  |
 +=============================================================================+


          Norm of Printed Amplitude Vector :             0.9410

          Printed all single excitations greater than 0.055122

          Printed all double excitations greater than 0.192254


 Analysis of the Coupled Cluster Excitation Vector Number :  3
 -------------------------------------------------------------

          Excitation Energy :                            25.5385 eV


          CC_PRAM:Overall Contribution of the Different Components
          --------------------------------------------------------



          Single Excitation Contribution :              67.1365 %

          Double Excitation Contribution :              32.8635 %

          ||T1||/||T2||                  :               1.4293

          Norm of Total Amplitude Vector :               1.0000


 +=============================================================================+
 | symmetry|  orbital index  |   Excitation Numbers             |   Amplitude  |
 |  Index  |   a   b   i   j |      NAI      NBJ |     NAIBJ    |              |
 +=============================================================================+
 | 5   1   |   1       2     |       15          |              |    0.779054  |
 +-----------------------------------------------------------------------------+
 | 5 1 1 1 |  12   3   3   3 |       40       29 |         2728 |    0.446885  |
 | 2 1 5 2 |   7   1   2   1 |       52       22 |        10600 |    0.181270  |
 | 4 1 6 3 |   3   1   1   1 |       55       25 |        15431 |    0.181270  |
 +=============================================================================+


          Norm of Printed Amplitude Vector :             0.9340

          Printed all single excitations greater than 0.163874

          Printed all double excitations greater than 0.114653


 *******************************************************************************

 --------------------------
 Symmetry class Nr.:     5
 Multiplicity      :     3
 --------------------------

 Length of Excitation vectors in this class is:     40530
 Converging for  3 roots.
 Vector nr. 28 of symmetry  5 found on file - RESTART SUCCESS
 Start vector is a CC2       RE  vector
 Vector nr. 29 of symmetry  5 found on file - RESTART SUCCESS
 Start vector is a CC2       RE  vector
 Vector nr. 30 of symmetry  5 found on file - RESTART SUCCESS
 Start vector is a CC2       RE  vector


 SYMMETRY CLASS NR.    5
 MULTIPLICITY          3


 CCSD       right excitation energies:
 ====================================
 (conversion factor used: 1 au = 27.2113957 eV)

 Excitation no.       Hartree               eV 
 --------------       -------               --
         1            0.0618886617        1.6840761507
         2            0.2706604656        7.3650459188
         3            0.8959194748       24.3792090501


 Total excited state energies for states of symmetry/spin    5    3
 Excitation no.       Energy (Hartree) 
 ------------------------------------- 
@@    5    1          -199.213137383350244
@@    5    2          -199.004365579450024
@@    5    3          -198.379106570204357


 Analysis of the Coupled Cluster Excitation Vector Number :  1
 -------------------------------------------------------------

          Excitation Energy :                             1.6841 eV


     CC_PRAM:Overall Contribution of the Different Components
     --------------------------------------------------------



     Single Excitation Contribution      :         99.5313 %

     Double Excitation Contribution (+/-):          0.1007 %    /    0.3680 % 

     ||T1||/||T2||                       :         14.5726

     Norm of Total Amplitude Vector :          1.0000


 +=============================================================================+
 | symmetry|  orbital index  |   Excitation Numbers             |   Amplitude  |
 |  Index  |   a   b   i   j |      NAI      NBJ |     NAIBJ    |              |
 +=============================================================================+
 | 5   1   |   1       3     |       29          |              |    0.990070  |
 +-----------------------------------------------------------------------------+
 | 5 1 1 1 |   1   2   1   2 |        1       15 | (-)     1345 |    0.003377  |
 | 5 1 1 1 |  13   2   1   2 |       13       15 | (-)     1357 |    0.008527  |
 | 5 1 1 1 |  14   2   1   2 |       14       15 | (-)     1358 |   -0.007086  |
 | 5 1 1 1 |   1   2   2   2 |       15       15 | (-)     1359 |    0.012970  |
 | 5 1 1 1 |   3   2   2   2 |       17       15 | (-)     1361 |   -0.005942  |
 | 5 1 1 1 |   4   2   2   2 |       18       15 | (-)     1362 |   -0.003124  |
 | 5 1 1 1 |   7   2   2   2 |       21       15 | (-)     1365 |   -0.004566  |
 | 5 1 1 1 |  13   2   2   2 |       27       15 | (-)     1371 |   -0.007977  |
 | 5 1 1 1 |   6   2   3   2 |       34       15 | (-)     1378 |   -0.007977  |
 | 5 1 1 1 |  14   3   1   2 |       14       16 | (-)     1454 |   -0.003331  |
 | 5 1 1 1 |  12   4   1   2 |       12       17 | (-)     1548 |   -0.003629  |
 | 5 1 1 1 |   9   7   1   2 |        9       20 | (-)     1833 |   -0.002831  |
 | 5 1 1 1 |   1   3   1   3 |        1       29 | (-)     2689 |    0.008992  |
 | 5 1 1 1 |  12   3   3   3 |       40       29 | (-)     2728 |    0.007334  |
 | 5 1 1 1 |  13   3   3   3 |       41       29 | (+)     2729 |    0.003425  |
 | 5 1 1 1 |  11   4   1   3 |       11       30 | (-)     2795 |    0.005024  |
 | 5 1 1 1 |   4   4   2   3 |       18       30 | (-)     2802 |    0.005024  |
 | 5 1 1 1 |  11   4   3   3 |       39       30 | (-)     2823 |   -0.006916  |
 | 5 1 1 1 |  12   4   3   3 |       40       30 | (-)     2824 |    0.004413  |
 | 5 1 1 1 |  10   5   1   3 |       10       31 | (-)     2890 |   -0.003508  |
 | 5 1 1 1 |   3   5   2   3 |       17       31 | (-)     2897 |   -0.003508  |
 | 5 1 1 1 |  10   5   3   3 |       38       31 | (-)     2918 |   -0.010671  |
 | 5 1 1 1 |   9   7   1   3 |        9       33 | (-)     3081 |    0.002964  |
 | 5 1 1 1 |   2   7   2   3 |       16       33 | (-)     3088 |    0.002964  |
 | 5 1 1 1 |   8   7   3   3 |       36       33 | (-)     3108 |    0.011854  |
 | 5 1 1 1 |   7   8   3   3 |       35       34 | (-)     3203 |   -0.004158  |
 | 5 1 1 1 |   6   9   1   3 |        6       35 | (-)     3270 |    0.003332  |
 | 5 1 1 1 |  13   9   1   3 |       13       35 | (-)     3277 |    0.003332  |
 | 5 1 1 1 |   2  13   3   3 |       30       39 | (-)     3678 |   -0.003141  |
 | 6 1 2 1 |   6   9   1   3 |       48       35 | (-)     3312 |    0.002754  |
 | 7 1 3 1 |   5   2   1   2 |       54       15 | (-)     1398 |   -0.003706  |
 | 7 1 3 1 |   6   2   1   2 |       55       15 | (-)     1399 |    0.003285  |
 | 7 1 3 1 |   4   3   1   2 |       53       16 | (-)     1493 |   -0.003275  |
 | 7 1 3 1 |   5   3   1   3 |       54       29 | (+)     2742 |    0.002942  |
 | 7 1 3 1 |   5   3   1   3 |       54       29 | (-)     2742 |   -0.003924  |
 | 7 1 3 1 |   4   4   1   3 |       53       30 | (+)     2837 |   -0.004005  |
 | 7 1 3 1 |   4   4   1   3 |       53       30 | (-)     2837 |    0.005016  |
 | 7 1 3 1 |   3   5   1   3 |       52       31 | (+)     2932 |    0.003162  |
 | 7 1 3 1 |   3   5   1   3 |       52       31 | (-)     2932 |   -0.003752  |
 | 7 1 3 1 |   2   7   1   3 |       51       33 | (+)     3123 |   -0.003265  |
 | 7 1 3 1 |   6   9   1   3 |       55       35 | (-)     3319 |    0.002754  |
 | 1 1 5 1 |  13   2   1   2 |       69       15 | (+)     1413 |    0.004092  |
 | 1 1 5 1 |  13   2   1   2 |       69       15 | (-)     1413 |   -0.007343  |
 | 1 1 5 1 |   7   2   2   2 |       76       15 | (+)     1420 |    0.004092  |
 | 1 1 5 1 |   7   2   2   2 |       76       15 | (-)     1420 |   -0.007343  |
 | 1 1 5 1 |   5   3   1   3 |       61       29 | (+)     2749 |    0.002942  |
 | 1 1 5 1 |   5   3   1   3 |       61       29 | (-)     2749 |   -0.003924  |
 | 1 1 5 1 |  12   3   2   3 |       81       29 | (-)     2769 |    0.003513  |
 | 1 1 5 1 |   4   4   1   3 |       60       30 | (+)     2844 |   -0.004005  |
 | 1 1 5 1 |   4   4   1   3 |       60       30 | (-)     2844 |    0.005016  |
 | 1 1 5 1 |   3   5   1   3 |       59       31 | (+)     2939 |    0.003162  |
 | 1 1 5 1 |   3   5   1   3 |       59       31 | (-)     2939 |   -0.003752  |
 | 1 1 5 1 |   2   7   1   3 |       58       33 | (+)     3130 |   -0.003265  |
 | 2 1 6 1 |   2   2   1   3 |       84       28 | (+)     2676 |    0.004053  |
 | 3 1 7 1 |   7   2   1   3 |       96       28 | (-)     2688 |    0.011940  |
 | 3 1 7 1 |   7   3   1   3 |       96       29 | (-)     2784 |   -0.002820  |
 | 5 2 1 2 |   1   1   3   1 |       29       40 | (-)     3773 |   -0.002947  |
 | 5 2 1 2 |  11   5   2   1 |       25       44 | (-)     4153 |    0.006127  |
 | 1 2 5 2 |  13   3   2   1 |       82       42 | (+)     4018 |   -0.004904  |
 | 1 2 5 2 |  13   3   2   1 |       82       42 | (-)     4018 |   -0.006663  |
 | 1 2 5 2 |  13   4   2   1 |       82       43 | (+)     4114 |    0.003083  |
 | 1 2 5 2 |  11   5   2   1 |       80       44 | (-)     4208 |   -0.002949  |
 | 2 2 6 2 |   1   3   1   1 |       83       42 | (-)     4019 |   -0.002798  |
 | 2 2 6 2 |   4   3   1   1 |       86       42 | (-)     4022 |   -0.003339  |
 | 5 3 1 3 |   4   5   2   1 |       18       51 | (-)     4818 |    0.006127  |
 | 1 3 5 3 |   6   3   2   1 |       75       49 | (+)     4683 |   -0.004904  |
 | 1 3 5 3 |   6   3   2   1 |       75       49 | (-)     4683 |   -0.006663  |
 | 1 3 5 3 |   7   3   2   1 |       76       49 | (-)     4684 |   -0.002798  |
 | 1 3 5 3 |  10   3   2   1 |       79       49 | (-)     4687 |   -0.003339  |
 | 1 3 5 3 |   6   4   2   1 |       75       50 | (+)     4779 |    0.003083  |
 | 1 3 5 3 |   4   5   2   1 |       73       51 | (-)     4873 |   -0.002949  |
 | 7 5 3 5 |   6   2   1   2 |       55       69 | (-)     6583 |   -0.005583  |
 | 7 5 3 5 |   7   2   1   2 |       56       69 | (-)     6584 |   -0.002854  |
 | 7 5 3 5 |   2   6   1   2 |       51       73 | (-)     6963 |    0.003556  |
 | 1 5 5 5 |   3   2   1   2 |       59       69 | (-)     6587 |   -0.002814  |
 | 3 5 7 5 |   5   3   1   2 |       94       70 | (-)     6718 |   -0.003550  |
 | 5 6 1 6 |  14   1   3   1 |       42       82 | (+)     7818 |   -0.006120  |
 | 5 6 1 6 |  14   1   3   1 |       42       82 | (-)     7818 |   -0.008231  |
 | 5 6 1 6 |  14   2   3   1 |       42       83 | (+)     7914 |    0.003505  |
 | 5 6 1 6 |  12   3   3   1 |       40       84 | (-)     8008 |   -0.003245  |
 | 6 6 2 6 |   1   1   1   1 |       43       82 | (+)     7819 |   -0.003542  |
 | 6 6 2 6 |   1   1   1   1 |       43       82 | (-)     7819 |   -0.004610  |
 | 6 6 2 6 |   4   1   1   1 |       46       82 | (+)     7822 |   -0.003084  |
 | 6 6 2 6 |   4   1   1   1 |       46       82 | (-)     7822 |   -0.003896  |
 | 1 6 5 6 |  13   1   2   1 |       82       82 | (-)     7858 |   -0.004124  |
 | 1 6 5 6 |  12   2   2   1 |       81       83 | (-)     7953 |    0.007074  |
 | 5 7 1 7 |   7   1   3   1 |       35       89 | (+)     8483 |   -0.006120  |
 | 5 7 1 7 |   7   1   3   1 |       35       89 | (-)     8483 |   -0.008231  |
 | 5 7 1 7 |   8   1   3   1 |       36       89 | (+)     8484 |   -0.003542  |
 | 5 7 1 7 |   8   1   3   1 |       36       89 | (-)     8484 |   -0.004610  |
 | 5 7 1 7 |  11   1   3   1 |       39       89 | (+)     8487 |   -0.003084  |
 | 5 7 1 7 |  11   1   3   1 |       39       89 | (-)     8487 |   -0.003896  |
 | 5 7 1 7 |   7   2   3   1 |       35       90 | (+)     8579 |    0.003505  |
 | 5 7 1 7 |   5   3   3   1 |       33       91 | (-)     8673 |   -0.003245  |
 | 1 7 5 7 |   6   1   2   1 |       75       89 | (-)     8523 |   -0.004124  |
 | 1 7 5 7 |   5   2   2   1 |       74       90 | (-)     8618 |    0.007074  |
 | 5 2 2 1 |   4   2   1   3 |       25       16 | (-)    10165 |    0.003228  |
 | 5 2 2 1 |  14   2   1   3 |       35       16 | (-)    10175 |    0.003228  |
 | 2 2 5 1 |   7   2   2   2 |       52        9 | (-)     9716 |    0.002997  |
 | 2 2 5 1 |   7   1   2   3 |       52       15 | (-)    10124 |   -0.007190  |
 | 2 2 5 1 |   7   4   2   3 |       52       18 | (-)    10328 |    0.003246  |
 | 1 2 6 1 |   3   2   1   3 |       55       16 | (-)    10195 |   -0.003192  |
 | 4 2 7 1 |   1   2   1   3 |       66       16 | (-)    10206 |    0.003192  |
 | 6 1 1 2 |   2   1   2   1 |        9       22 | (+)    10557 |   -0.004268  |
 | 6 1 1 2 |   2   1   2   1 |        9       22 | (-)    10557 |   -0.003801  |
 | 6 1 1 2 |   1   1   3   1 |       15       22 | (-)    10563 |    0.007835  |
 | 6 1 1 2 |   4   1   3   1 |       18       22 | (-)    10566 |    0.003293  |
 | 6 1 1 2 |   1   2   3   1 |       15       23 | (+)    10631 |    0.003854  |
 | 6 1 1 2 |   2   4   3   1 |       16       25 | (-)    10768 |    0.002741  |
 | 6 1 1 2 |   2   5   3   1 |       16       26 | (+)    10836 |    0.003488  |
 | 2 1 5 2 |   1   1   2   1 |       46       22 | (+)    10594 |   -0.002752  |
 | 2 1 5 2 |   1   1   2   1 |       46       22 | (-)    10594 |   -0.003651  |
 | 2 1 5 2 |   7   1   2   1 |       52       22 | (-)    10600 |   -0.004236  |
 | 6 4 1 3 |   2   2   3   1 |       16       36 | (-)    11516 |   -0.002741  |
 | 2 6 5 5 |   7   2   2   2 |       52       46 | (+)    12232 |    0.002810  |
 | 2 6 5 5 |   7   3   2   2 |       52       47 | (+)    12300 |   -0.003642  |
 | 2 6 5 5 |   7   3   2   2 |       52       47 | (-)    12300 |    0.003384  |
 | 6 5 1 6 |   2   5   3   1 |       16       56 | (-)    12876 |   -0.002800  |
 | 2 5 5 6 |   7   3   2   1 |       52       54 | (-)    12776 |   -0.002870  |
 | 6 8 1 7 |   2   1   3   1 |       16       66 | (-)    13556 |   -0.002800  |
 | 8 3 2 1 |   1   2   1   3 |       22       16 | (-)    14786 |    0.003228  |
 | 5 3 3 1 |   4   2   1   3 |       28       16 | (-)    14792 |   -0.003228  |
 | 3 3 5 1 |   7   2   2   3 |       52       16 | (-)    14816 |    0.003192  |
 | 4 3 6 1 |   3   2   1   2 |       55        9 | (-)    14343 |    0.002997  |
 | 4 3 6 1 |   3   1   1   3 |       55       15 | (-)    14751 |   -0.007190  |
 | 4 3 6 1 |   3   4   1   3 |       55       18 | (-)    14955 |    0.003246  |
 | 1 3 7 1 |   3   2   1   3 |       58       16 | (-)    14822 |    0.003192  |
 | 7 4 1 2 |   2   1   3   1 |       16       22 | (-)    15188 |   -0.002741  |
 | 7 1 1 3 |   2   1   2   1 |        9       25 | (+)    15385 |   -0.004268  |
 | 7 1 1 3 |   2   1   2   1 |        9       25 | (-)    15385 |   -0.003801  |
 | 7 1 1 3 |   1   1   3   1 |       15       25 | (-)    15391 |    0.007835  |
 | 7 1 1 3 |   4   1   3   1 |       18       25 | (-)    15394 |    0.003293  |
 | 7 1 1 3 |   1   2   3   1 |       15       26 | (+)    15459 |    0.003854  |
 | 7 1 1 3 |   2   4   3   1 |       16       28 | (-)    15596 |   -0.002741  |
 | 7 1 1 3 |   2   5   3   1 |       16       29 | (+)    15664 |    0.003488  |
 | 3 1 5 3 |   1   1   2   1 |       46       25 | (+)    15422 |   -0.002752  |
 | 3 1 5 3 |   1   1   2   1 |       46       25 | (-)    15422 |   -0.003651  |
 | 4 1 6 3 |   3   1   1   1 |       55       25 | (-)    15431 |   -0.004236  |
 | 4 7 6 5 |   3   2   1   2 |       55       46 | (+)    16859 |    0.002810  |
 | 4 7 6 5 |   3   3   1   2 |       55       47 | (+)    16927 |   -0.003642  |
 | 4 7 6 5 |   3   3   1   2 |       55       47 | (-)    16927 |    0.003384  |
 | 7 8 1 6 |   2   2   3   1 |       16       53 | (-)    17296 |   -0.002800  |
 | 7 5 1 7 |   2   5   3   1 |       16       59 | (-)    17704 |    0.002800  |
 | 4 5 6 7 |   3   3   1   1 |       55       57 | (-)    17607 |   -0.002870  |
 +=============================================================================+


          Norm of Printed Amplitude Vector :             0.9917


          Printed all single excitations greater than  0.199531


          Printed all double excitations greater than  0.002738


 Analysis of the Coupled Cluster Excitation Vector Number :  2
 -------------------------------------------------------------

          Excitation Energy :                             7.3650 eV


     CC_PRAM:Overall Contribution of the Different Components
     --------------------------------------------------------



     Single Excitation Contribution      :          0.2500 %

     Double Excitation Contribution (+/-):          0.0592 %    /   99.6907 % 

     ||T1||/||T2||                       :          0.0501

     Norm of Total Amplitude Vector :          1.0000


 +=============================================================================+
 | symmetry|  orbital index  |   Excitation Numbers             |   Amplitude  |
 |  Index  |   a   b   i   j |      NAI      NBJ |     NAIBJ    |              |
 +=============================================================================+
 | 2   6   |   1       1     |       83          |              |    0.022374  |
 | 3   7   |   1       1     |       90          |              |    0.022374  |
 | 5   1   |   1       2     |       15          |              |    0.011260  |
 | 5   1   |   1       3     |       29          |              |    0.025693  |
 | 6   2   |   1       1     |       43          |              |   -0.015864  |
 | 7   3   |   1       1     |       50          |              |   -0.015864  |
 +-----------------------------------------------------------------------------+
 | 2 1 5 2 |   7   1   2   1 |       52       22 | (-)    10600 |    0.700512  |
 | 4 1 6 3 |   3   1   1   1 |       55       25 | (-)    15431 |    0.700512  |
 +=============================================================================+


          Norm of Printed Amplitude Vector :             0.9918


          Printed all single excitations greater than  0.010001


          Printed all double excitations greater than  0.199750


 Analysis of the Coupled Cluster Excitation Vector Number :  3
 -------------------------------------------------------------

          Excitation Energy :                            24.3792 eV


     CC_PRAM:Overall Contribution of the Different Components
     --------------------------------------------------------



     Single Excitation Contribution      :         96.2189 %

     Double Excitation Contribution (+/-):          0.1577 %    /    3.6234 % 

     ||T1||/||T2||                       :          5.0445

     Norm of Total Amplitude Vector :          1.0000


 +=============================================================================+
 | symmetry|  orbital index  |   Excitation Numbers             |   Amplitude  |
 |  Index  |   a   b   i   j |      NAI      NBJ |     NAIBJ    |              |
 +=============================================================================+
 | 5   1   |   1       2     |       15          |              |   -0.922386  |
 +-----------------------------------------------------------------------------+
 | 5 1 1 1 |  12   3   3   3 |       40       29 | (-)     2728 |   -0.148207  |
 +=============================================================================+


          Norm of Printed Amplitude Vector :             0.9342


          Printed all single excitations greater than  0.196182


          Printed all double excitations greater than  0.038890


 *******************************************************************************

 --------------------------
 Symmetry class Nr.:     6
 Multiplicity      :     1
 --------------------------

 Length of Excitation vectors in this class is:     18904
 Converging for  3 roots.
 Vector nr. 31 of symmetry  6 found on file - RESTART SUCCESS
 Start vector is a CC2       RE  vector
 Vector nr. 32 of symmetry  6 found on file - RESTART SUCCESS
 Start vector is a CC2       RE  vector
 Vector nr. 33 of symmetry  6 found on file - RESTART SUCCESS
 Start vector is a CC2       RE  vector


 SYMMETRY CLASS NR.    6
 MULTIPLICITY          1


 CCSD       right excitation energies:
 ====================================
 (conversion factor used: 1 au = 27.2113957 eV)

 Excitation no.       Hartree               eV 
 --------------       -------               --
         1            0.1038596212        2.8261640566
         2            0.5926555851       16.1269788307
         3            0.8951073350       24.3571096016


 Total excited state energies for states of symmetry/spin    6    1
 Excitation no.       Energy (Hartree) 
 ------------------------------------- 
@@    6    1          -199.171166423803527
@@    6    2          -198.682370459896703
@@    6    3          -198.379918710019354


 Analysis of the Coupled Cluster Excitation Vector Number :  1
 -------------------------------------------------------------

          Excitation Energy :                             2.8262 eV


          CC_PRAM:Overall Contribution of the Different Components
          --------------------------------------------------------



          Single Excitation Contribution :              80.1215 %

          Double Excitation Contribution :              19.8785 %

          ||T1||/||T2||                  :               2.0076

          Norm of Total Amplitude Vector :               1.0000


 +=============================================================================+
 | symmetry|  orbital index  |   Excitation Numbers             |   Amplitude  |
 |  Index  |   a   b   i   j |      NAI      NBJ |     NAIBJ    |              |
 +=============================================================================+
 | 5   2   |   1       1     |       22          |              |    0.891336  |
 +-----------------------------------------------------------------------------+
 | 5 2 1 1 |   8   7   3   3 |       36       21 |         1956 |    0.419665  |
 +=============================================================================+


          Norm of Printed Amplitude Vector :             0.9852

          Printed all single excitations greater than 0.179021

          Printed all double excitations greater than 0.089171


 Analysis of the Coupled Cluster Excitation Vector Number :  2
 -------------------------------------------------------------

          Excitation Energy :                            16.1270 eV


          CC_PRAM:Overall Contribution of the Different Components
          --------------------------------------------------------



          Single Excitation Contribution :              19.6490 %

          Double Excitation Contribution :              80.3510 %

          ||T1||/||T2||                  :               0.4945

          Norm of Total Amplitude Vector :               1.0000


 +=============================================================================+
 | symmetry|  orbital index  |   Excitation Numbers             |   Amplitude  |
 |  Index  |   a   b   i   j |      NAI      NBJ |     NAIBJ    |              |
 +=============================================================================+
 | 1   6   |   2       1     |       54          |              |   -0.118925  |
 | 5   2   |   1       1     |       22          |              |    0.416992  |
 +-----------------------------------------------------------------------------+
 | 5 2 1 1 |   8   7   3   3 |       36       21 |         1956 |   -0.857042  |
 +=============================================================================+


          Norm of Printed Amplitude Vector :             0.9605

          Printed all single excitations greater than 0.088654

          Printed all double excitations greater than 0.179277


 Analysis of the Coupled Cluster Excitation Vector Number :  3
 -------------------------------------------------------------

          Excitation Energy :                            24.3571 eV


          CC_PRAM:Overall Contribution of the Different Components
          --------------------------------------------------------



          Single Excitation Contribution :              93.0953 %

          Double Excitation Contribution :               6.9047 %

          ||T1||/||T2||                  :               3.6719

          Norm of Total Amplitude Vector :               1.0000


 +=============================================================================+
 | symmetry|  orbital index  |   Excitation Numbers             |   Amplitude  |
 |  Index  |   a   b   i   j |      NAI      NBJ |     NAIBJ    |              |
 +=============================================================================+
 | 1   6   |   1       1     |       53          |              |    0.944860  |
 +-----------------------------------------------------------------------------+
 | 5 2 1 1 |   6   7   1   3 |        6       21 |         1926 |    0.155732  |
 | 6 2 2 1 |   2   4   1   2 |       44       11 |         1004 |    0.060823  |
 | 2 1 5 1 |   5   4   2   3 |       50       30 |         8550 |    0.068466  |
 +=============================================================================+


          Norm of Printed Amplitude Vector :             0.9620

          Printed all single excitations greater than 0.192972

          Printed all double excitations greater than 0.052553


 *******************************************************************************

 --------------------------
 Symmetry class Nr.:     6
 Multiplicity      :     3
 --------------------------

 Length of Excitation vectors in this class is:     37740
 Converging for  3 roots.
 Vector nr. 34 of symmetry  6 found on file - RESTART SUCCESS
 Start vector is a CC2       RE  vector
 Vector nr. 35 of symmetry  6 found on file - RESTART SUCCESS
 Start vector is a CC2       RE  vector
 Vector nr. 36 of symmetry  6 found on file - RESTART SUCCESS
 Start vector is a CC2       RE  vector


 SYMMETRY CLASS NR.    6
 MULTIPLICITY          3


 CCSD       right excitation energies:
 ====================================
 (conversion factor used: 1 au = 27.2113957 eV)

 Excitation no.       Hartree               eV 
 --------------       -------               --
         1            0.0904056951        2.4600641051
         2            0.5119404631       13.9306086327
         3            0.8653203903       23.5465656057


 Total excited state energies for states of symmetry/spin    6    3
 Excitation no.       Energy (Hartree) 
 ------------------------------------- 
@@    6    1          -199.184620349874990
@@    6    2          -198.763085581959672
@@    6    3          -198.409705654691152


 Analysis of the Coupled Cluster Excitation Vector Number :  1
 -------------------------------------------------------------

          Excitation Energy :                             2.4601 eV


     CC_PRAM:Overall Contribution of the Different Components
     --------------------------------------------------------



     Single Excitation Contribution      :         95.8153 %

     Double Excitation Contribution (+/-):          0.1186 %    /    4.0660 % 

     ||T1||/||T2||                       :          4.7850

     Norm of Total Amplitude Vector :          1.0000


 +=============================================================================+
 | symmetry|  orbital index  |   Excitation Numbers             |   Amplitude  |
 |  Index  |   a   b   i   j |      NAI      NBJ |     NAIBJ    |              |
 +=============================================================================+
 | 5   2   |   1       1     |       22          |              |    0.973102  |
 +-----------------------------------------------------------------------------+
 | 5 2 1 1 |   8   7   3   3 |       36       21 | (-)     1956 |    0.185760  |
 +=============================================================================+


          Norm of Printed Amplitude Vector :             0.9907


          Printed all single excitations greater than  0.195771


          Printed all double excitations greater than  0.040913


 Analysis of the Coupled Cluster Excitation Vector Number :  2
 -------------------------------------------------------------

          Excitation Energy :                            13.9306 eV


     CC_PRAM:Overall Contribution of the Different Components
     --------------------------------------------------------



     Single Excitation Contribution      :         38.8133 %

     Double Excitation Contribution (+/-):          1.5813 %    /   59.6055 % 

     ||T1||/||T2||                       :          0.7965

     Norm of Total Amplitude Vector :          1.0000


 +=============================================================================+
 | symmetry|  orbital index  |   Excitation Numbers             |   Amplitude  |
 |  Index  |   a   b   i   j |      NAI      NBJ |     NAIBJ    |              |
 +=============================================================================+
 | 1   6   |   2       1     |       54          |              |   -0.210302  |
 | 5   2   |   1       1     |       22          |              |    0.566369  |
 +-----------------------------------------------------------------------------+
 | 5 2 1 1 |   8   7   3   3 |       36       21 | (-)     1956 |   -0.739849  |
 +=============================================================================+


          Norm of Printed Amplitude Vector :             0.9552


          Printed all single excitations greater than  0.124601


          Printed all double excitations greater than  0.156444


 Analysis of the Coupled Cluster Excitation Vector Number :  3
 -------------------------------------------------------------

          Excitation Energy :                            23.5466 eV


     CC_PRAM:Overall Contribution of the Different Components
     --------------------------------------------------------



     Single Excitation Contribution      :         97.8989 %

     Double Excitation Contribution (+/-):          0.3896 %    /    1.7114 % 

     ||T1||/||T2||                       :          6.8260

     Norm of Total Amplitude Vector :          1.0000


 +=============================================================================+
 | symmetry|  orbital index  |   Excitation Numbers             |   Amplitude  |
 |  Index  |   a   b   i   j |      NAI      NBJ |     NAIBJ    |              |
 +=============================================================================+
 | 1   6   |   1       1     |       53          |              |    0.942509  |
 | 5   2   |   2       1     |       23          |              |    0.282228  |
 +-----------------------------------------------------------------------------+
 | 5 2 1 1 |   6   7   1   3 |        6       21 | (-)     1926 |    0.073135  |
 | 5 1 1 2 |   8   1   1   1 |        8       22 | (-)     2024 |   -0.033175  |
 | 2 1 5 1 |   5   4   2   3 |       50       30 | (+)     8550 |   -0.043104  |
 | 2 1 5 1 |   5   4   2   3 |       50       30 | (-)     8550 |    0.047102  |
 +=============================================================================+


          Norm of Printed Amplitude Vector :             0.9892


          Printed all single excitations greater than  0.197888


          Printed all double excitations greater than  0.028990


 *******************************************************************************

 --------------------------
 Symmetry class Nr.:     7
 Multiplicity      :     1
 --------------------------

 Length of Excitation vectors in this class is:     18904
 Converging for  3 roots.
 Vector nr. 37 of symmetry  7 found on file - RESTART SUCCESS
 Start vector is a CC2       RE  vector
 Vector nr. 38 of symmetry  7 found on file - RESTART SUCCESS
 Start vector is a CC2       RE  vector
 Vector nr. 39 of symmetry  7 found on file - RESTART SUCCESS
 Start vector is a CC2       RE  vector


 SYMMETRY CLASS NR.    7
 MULTIPLICITY          1


 CCSD       right excitation energies:
 ====================================
 (conversion factor used: 1 au = 27.2113957 eV)

 Excitation no.       Hartree               eV 
 --------------       -------               --
         1            0.1038596212        2.8261640566
         2            0.5926555851       16.1269788307
         3            0.8951073350       24.3571096016


 Total excited state energies for states of symmetry/spin    7    1
 Excitation no.       Energy (Hartree) 
 ------------------------------------- 
@@    7    1          -199.171166423803527
@@    7    2          -198.682370459896703
@@    7    3          -198.379918710019382


 Analysis of the Coupled Cluster Excitation Vector Number :  1
 -------------------------------------------------------------

          Excitation Energy :                             2.8262 eV


          CC_PRAM:Overall Contribution of the Different Components
          --------------------------------------------------------



          Single Excitation Contribution :              80.1215 %

          Double Excitation Contribution :              19.8785 %

          ||T1||/||T2||                  :               2.0076

          Norm of Total Amplitude Vector :               1.0000


 +=============================================================================+
 | symmetry|  orbital index  |   Excitation Numbers             |   Amplitude  |
 |  Index  |   a   b   i   j |      NAI      NBJ |     NAIBJ    |              |
 +=============================================================================+
 | 5   3   |   1       1     |       25          |              |    0.891336  |
 +-----------------------------------------------------------------------------+
 | 5 3 1 1 |  11   7   3   3 |       39       21 |         1959 |    0.419665  |
 +=============================================================================+


          Norm of Printed Amplitude Vector :             0.9852

          Printed all single excitations greater than 0.179021

          Printed all double excitations greater than 0.089171


 Analysis of the Coupled Cluster Excitation Vector Number :  2
 -------------------------------------------------------------

          Excitation Energy :                            16.1270 eV


          CC_PRAM:Overall Contribution of the Different Components
          --------------------------------------------------------



          Single Excitation Contribution :              19.6490 %

          Double Excitation Contribution :              80.3510 %

          ||T1||/||T2||                  :               0.4945

          Norm of Total Amplitude Vector :               1.0000


 +=============================================================================+
 | symmetry|  orbital index  |   Excitation Numbers             |   Amplitude  |
 |  Index  |   a   b   i   j |      NAI      NBJ |     NAIBJ    |              |
 +=============================================================================+
 | 1   7   |   2       1     |       57          |              |   -0.118925  |
 | 5   3   |   1       1     |       25          |              |    0.416992  |
 +-----------------------------------------------------------------------------+
 | 5 3 1 1 |  11   7   3   3 |       39       21 |         1959 |   -0.857042  |
 +=============================================================================+


          Norm of Printed Amplitude Vector :             0.9605

          Printed all single excitations greater than 0.088654

          Printed all double excitations greater than 0.179277


 Analysis of the Coupled Cluster Excitation Vector Number :  3
 -------------------------------------------------------------

          Excitation Energy :                            24.3571 eV


          CC_PRAM:Overall Contribution of the Different Components
          --------------------------------------------------------



          Single Excitation Contribution :              93.0953 %

          Double Excitation Contribution :               6.9047 %

          ||T1||/||T2||                  :               3.6719

          Norm of Total Amplitude Vector :               1.0000


 +=============================================================================+
 | symmetry|  orbital index  |   Excitation Numbers             |   Amplitude  |
 |  Index  |   a   b   i   j |      NAI      NBJ |     NAIBJ    |              |
 +=============================================================================+
 | 1   7   |   1       1     |       56          |              |    0.944860  |
 +-----------------------------------------------------------------------------+
 | 5 3 1 1 |   9   7   1   3 |        9       21 |         1929 |    0.155732  |
 | 6 3 2 1 |   5   4   1   2 |       47       11 |         1007 |    0.060823  |
 | 1 1 7 1 |   8   8   1   3 |       63       34 |        11759 |    0.068466  |
 +=============================================================================+


          Norm of Printed Amplitude Vector :             0.9620

          Printed all single excitations greater than 0.192972

          Printed all double excitations greater than 0.052553


 *******************************************************************************

 --------------------------
 Symmetry class Nr.:     7
 Multiplicity      :     3
 --------------------------

 Length of Excitation vectors in this class is:     37740
 Converging for  3 roots.
 Vector nr. 40 of symmetry  7 found on file - RESTART SUCCESS
 Start vector is a CC2       RE  vector
 Vector nr. 41 of symmetry  7 found on file - RESTART SUCCESS
 Start vector is a CC2       RE  vector
 Vector nr. 42 of symmetry  7 found on file - RESTART SUCCESS
 Start vector is a CC2       RE  vector


 SYMMETRY CLASS NR.    7
 MULTIPLICITY          3


 CCSD       right excitation energies:
 ====================================
 (conversion factor used: 1 au = 27.2113957 eV)

 Excitation no.       Hartree               eV 
 --------------       -------               --
         1            0.0904056951        2.4600641051
         2            0.5119404631       13.9306086327
         3            0.8653203903       23.5465656057


 Total excited state energies for states of symmetry/spin    7    3
 Excitation no.       Energy (Hartree) 
 ------------------------------------- 
@@    7    1          -199.184620349874990
@@    7    2          -198.763085581959700
@@    7    3          -198.409705654691152


 Analysis of the Coupled Cluster Excitation Vector Number :  1
 -------------------------------------------------------------

          Excitation Energy :                             2.4601 eV


     CC_PRAM:Overall Contribution of the Different Components
     --------------------------------------------------------



     Single Excitation Contribution      :         95.8153 %

     Double Excitation Contribution (+/-):          0.1186 %    /    4.0660 % 

     ||T1||/||T2||                       :          4.7850

     Norm of Total Amplitude Vector :          1.0000


 +=============================================================================+
 | symmetry|  orbital index  |   Excitation Numbers             |   Amplitude  |
 |  Index  |   a   b   i   j |      NAI      NBJ |     NAIBJ    |              |
 +=============================================================================+
 | 5   3   |   1       1     |       25          |              |    0.973102  |
 +-----------------------------------------------------------------------------+
 | 5 3 1 1 |  11   7   3   3 |       39       21 | (-)     1959 |    0.185760  |
 +=============================================================================+


          Norm of Printed Amplitude Vector :             0.9907


          Printed all single excitations greater than  0.195771


          Printed all double excitations greater than  0.040913


 Analysis of the Coupled Cluster Excitation Vector Number :  2
 -------------------------------------------------------------

          Excitation Energy :                            13.9306 eV


     CC_PRAM:Overall Contribution of the Different Components
     --------------------------------------------------------



     Single Excitation Contribution      :         38.8133 %

     Double Excitation Contribution (+/-):          1.5813 %    /   59.6055 % 

     ||T1||/||T2||                       :          0.7965

     Norm of Total Amplitude Vector :          1.0000


 +=============================================================================+
 | symmetry|  orbital index  |   Excitation Numbers             |   Amplitude  |
 |  Index  |   a   b   i   j |      NAI      NBJ |     NAIBJ    |              |
 +=============================================================================+
 | 1   7   |   2       1     |       57          |              |   -0.210302  |
 | 5   3   |   1       1     |       25          |              |    0.566369  |
 +-----------------------------------------------------------------------------+
 | 5 3 1 1 |  11   7   3   3 |       39       21 | (-)     1959 |   -0.739849  |
 +=============================================================================+


          Norm of Printed Amplitude Vector :             0.9552


          Printed all single excitations greater than  0.124601


          Printed all double excitations greater than  0.156444


 Analysis of the Coupled Cluster Excitation Vector Number :  3
 -------------------------------------------------------------

          Excitation Energy :                            23.5466 eV


     CC_PRAM:Overall Contribution of the Different Components
     --------------------------------------------------------



     Single Excitation Contribution      :         97.8989 %

     Double Excitation Contribution (+/-):          0.3896 %    /    1.7114 % 

     ||T1||/||T2||                       :          6.8260

     Norm of Total Amplitude Vector :          1.0000


 +=============================================================================+
 | symmetry|  orbital index  |   Excitation Numbers             |   Amplitude  |
 |  Index  |   a   b   i   j |      NAI      NBJ |     NAIBJ    |              |
 +=============================================================================+
 | 1   7   |   1       1     |       56          |              |    0.942509  |
 | 5   3   |   2       1     |       26          |              |    0.282228  |
 +-----------------------------------------------------------------------------+
 | 5 3 1 1 |   9   7   1   3 |        9       21 | (-)     1929 |    0.073135  |
 | 5 4 1 2 |  11   1   1   1 |       11       22 | (-)     2027 |   -0.033175  |
 | 1 1 7 1 |   8   8   1   3 |       63       34 | (+)    11759 |   -0.043104  |
 | 1 1 7 1 |   8   8   1   3 |       63       34 | (-)    11759 |    0.047102  |
 +=============================================================================+


          Norm of Printed Amplitude Vector :             0.9892


          Printed all single excitations greater than  0.197888


          Printed all double excitations greater than  0.028990


 *******************************************************************************

 --------------------------
 Symmetry class Nr.:     8
 Multiplicity      :     1
 --------------------------

 Length of Excitation vectors in this class is:     17504
 Converging for  3 roots.
 Vector nr. 43 of symmetry  8 found on file - RESTART SUCCESS
 Start vector is a CC2       RE  vector
 Vector nr. 44 of symmetry  8 found on file - RESTART SUCCESS
 Start vector is a CC2       RE  vector
 Vector nr. 45 of symmetry  8 found on file - RESTART SUCCESS
 Start vector is a CC2       RE  vector


 SYMMETRY CLASS NR.    8
 MULTIPLICITY          1


 CCSD       right excitation energies:
 ====================================
 (conversion factor used: 1 au = 27.2113957 eV)

 Excitation no.       Hartree               eV 
 --------------       -------               --
         1            0.2681401944        7.2964658529
         2            0.7435018398       20.2317142235
         3            1.0003881281       27.2219457120


 Total excited state energies for states of symmetry/spin    8    1
 Excitation no.       Energy (Hartree) 
 ------------------------------------- 
@@    8    1          -199.006885850575856
@@    8    2          -198.531524205214765
@@    8    3          -198.274637916942339


 Analysis of the Coupled Cluster Excitation Vector Number :  1
 -------------------------------------------------------------

          Excitation Energy :                             7.2965 eV


          CC_PRAM:Overall Contribution of the Different Components
          --------------------------------------------------------



          Single Excitation Contribution :               0.0430 %

          Double Excitation Contribution :              99.9570 %

          ||T1||/||T2||                  :               0.0207

          Norm of Total Amplitude Vector :               1.0000


 +=============================================================================+
 | symmetry|  orbital index  |   Excitation Numbers             |   Amplitude  |
 |  Index  |   a   b   i   j |      NAI      NBJ |     NAIBJ    |              |
 +=============================================================================+
 | 2   7   |   1       1     |       37          |              |   -0.011273  |
 | 3   6   |   1       1     |       30          |              |    0.011273  |
 | 6   3   |   1       1     |       17          |              |    0.007983  |
 | 7   2   |   1       1     |       10          |              |   -0.007983  |
 +-----------------------------------------------------------------------------+
 | 1 4 6 2 |   3   1   1   1 |       55       22 |         5611 |   -0.701462  |
 | 3 1 5 2 |   7   4   2   1 |       52       25 |        10436 |    0.701462  |
 +=============================================================================+


          Norm of Printed Amplitude Vector :             0.9922

          Printed all single excitations greater than 0.004146

          Printed all double excitations greater than 0.199957


 Analysis of the Coupled Cluster Excitation Vector Number :  2
 -------------------------------------------------------------

          Excitation Energy :                            20.2317 eV


          CC_PRAM:Overall Contribution of the Different Components
          --------------------------------------------------------



          Single Excitation Contribution :               0.2885 %

          Double Excitation Contribution :              99.7115 %

          ||T1||/||T2||                  :               0.0538

          Norm of Total Amplitude Vector :               1.0000


 +=============================================================================+
 | symmetry|  orbital index  |   Excitation Numbers             |   Amplitude  |
 |  Index  |   a   b   i   j |      NAI      NBJ |     NAIBJ    |              |
 +=============================================================================+
 | 2   7   |   1       1     |       37          |              |   -0.031891  |
 | 3   6   |   1       1     |       30          |              |   -0.031891  |
 | 6   3   |   1       1     |       17          |              |   -0.019302  |
 | 7   2   |   1       1     |       10          |              |   -0.019302  |
 +-----------------------------------------------------------------------------+
 | 1 4 6 2 |   3   1   1   1 |       55       22 |         5611 |   -0.676810  |
 | 3 1 5 2 |   7   4   2   1 |       52       25 |        10436 |   -0.676810  |
 +=============================================================================+


          Norm of Printed Amplitude Vector :             0.9586

          Printed all single excitations greater than 0.010743

          Printed all double excitations greater than 0.199711


 Analysis of the Coupled Cluster Excitation Vector Number :  3
 -------------------------------------------------------------

          Excitation Energy :                            27.2219 eV


          CC_PRAM:Overall Contribution of the Different Components
          --------------------------------------------------------



          Single Excitation Contribution :              94.2817 %

          Double Excitation Contribution :               5.7183 %

          ||T1||/||T2||                  :               4.0605

          Norm of Total Amplitude Vector :               1.0000


 +=============================================================================+
 | symmetry|  orbital index  |   Excitation Numbers             |   Amplitude  |
 |  Index  |   a   b   i   j |      NAI      NBJ |     NAIBJ    |              |
 +=============================================================================+
 | 2   7   |   1       1     |       37          |              |    0.675125  |
 | 3   6   |   1       1     |       30          |              |   -0.675122  |
 +-----------------------------------------------------------------------------+
 | 1 3 5 2 |   6   4   1   1 |       62       13 |         1214 |   -0.114902  |
 | 1 3 5 2 |  13   4   1   1 |       69       13 |         1221 |    0.114903  |
 | 6 4 1 2 |   1   1   3   1 |       15       22 |         5571 |   -0.052154  |
 | 7 1 1 2 |   1   4   3   1 |       15       25 |        10399 |    0.052154  |
 +=============================================================================+


          Norm of Printed Amplitude Vector :             0.9713

          Printed all single excitations greater than 0.194198

          Printed all double excitations greater than 0.047826


 *******************************************************************************

 --------------------------
 Symmetry class Nr.:     8
 Multiplicity      :     3
 --------------------------

 Length of Excitation vectors in this class is:     34965
 Converging for  3 roots.
 Vector nr. 46 of symmetry  8 found on file - RESTART SUCCESS
 Start vector is a CC2       RE  vector
 Vector nr. 47 of symmetry  8 found on file - RESTART SUCCESS
 Start vector is a CC2       RE  vector
 Vector nr. 48 of symmetry  8 found on file - RESTART SUCCESS
 Start vector is a CC2       RE  vector


 SYMMETRY CLASS NR.    8
 MULTIPLICITY          3


 CCSD       right excitation energies:
 ====================================
 (conversion factor used: 1 au = 27.2113957 eV)

 Excitation no.       Hartree               eV 
 --------------       -------               --
         1            0.2696489682        7.3375216745
         2            0.6576800947       17.8963857454
         3            0.9735817454       26.4925069346


 Total excited state energies for states of symmetry/spin    8    3
 Excitation no.       Energy (Hartree) 
 ------------------------------------- 
@@    8    1          -199.005377076847481
@@    8    2          -198.617345950264252
@@    8    3          -198.301444299583892


 Analysis of the Coupled Cluster Excitation Vector Number :  1
 -------------------------------------------------------------

          Excitation Energy :                             7.3375 eV


     CC_PRAM:Overall Contribution of the Different Components
     --------------------------------------------------------



     Single Excitation Contribution      :          0.1699 %

     Double Excitation Contribution (+/-):          0.0594 %    /   99.7707 % 

     ||T1||/||T2||                       :          0.0413

     Norm of Total Amplitude Vector :          1.0000


 +=============================================================================+
 | symmetry|  orbital index  |   Excitation Numbers             |   Amplitude  |
 |  Index  |   a   b   i   j |      NAI      NBJ |     NAIBJ    |              |
 +=============================================================================+
 | 2   7   |   1       1     |       37          |              |   -0.022356  |
 | 3   6   |   1       1     |       30          |              |   -0.022356  |
 | 6   3   |   1       1     |       17          |              |    0.015832  |
 | 7   2   |   1       1     |       10          |              |    0.015832  |
 +-----------------------------------------------------------------------------+
 | 1 4 6 2 |   3   1   1   1 |       55       22 | (-)     5611 |   -0.700828  |
 | 3 1 5 2 |   7   4   2   1 |       52       25 | (-)    10436 |   -0.700828  |
 +=============================================================================+


          Norm of Printed Amplitude Vector :             0.9919


          Printed all single excitations greater than  0.008244


          Printed all double excitations greater than  0.199830


 Analysis of the Coupled Cluster Excitation Vector Number :  2
 -------------------------------------------------------------

          Excitation Energy :                            17.8964 eV


     CC_PRAM:Overall Contribution of the Different Components
     --------------------------------------------------------



     Single Excitation Contribution      :          0.7637 %

     Double Excitation Contribution (+/-):          0.0948 %    /   99.1414 % 

     ||T1||/||T2||                       :          0.0877

     Norm of Total Amplitude Vector :          1.0000


 +=============================================================================+
 | symmetry|  orbital index  |   Excitation Numbers             |   Amplitude  |
 |  Index  |   a   b   i   j |      NAI      NBJ |     NAIBJ    |              |
 +=============================================================================+
 | 2   7   |   1       1     |       37          |              |   -0.050424  |
 | 3   6   |   1       1     |       30          |              |    0.050424  |
 | 6   3   |   1       1     |       17          |              |   -0.032870  |
 | 7   2   |   1       1     |       10          |              |    0.032870  |
 +-----------------------------------------------------------------------------+
 | 1 4 6 2 |   3   1   1   1 |       55       22 | (-)     5611 |   -0.674923  |
 | 3 1 5 2 |   7   4   2   1 |       52       25 | (-)    10436 |    0.674923  |
 +=============================================================================+


          Norm of Printed Amplitude Vector :             0.9583


          Printed all single excitations greater than  0.017478


          Printed all double excitations greater than  0.199235


 Analysis of the Coupled Cluster Excitation Vector Number :  3
 -------------------------------------------------------------

          Excitation Energy :                            26.4925 eV


     CC_PRAM:Overall Contribution of the Different Components
     --------------------------------------------------------



     Single Excitation Contribution      :         98.2575 %

     Double Excitation Contribution (+/-):          0.3247 %    /    1.4178 % 

     ||T1||/||T2||                       :          7.5092

     Norm of Total Amplitude Vector :          1.0000


 +=============================================================================+
 | symmetry|  orbital index  |   Excitation Numbers             |   Amplitude  |
 |  Index  |   a   b   i   j |      NAI      NBJ |     NAIBJ    |              |
 +=============================================================================+
 | 2   7   |   1       1     |       37          |              |    0.678435  |
 | 3   6   |   1       1     |       30          |              |    0.678435  |
 +-----------------------------------------------------------------------------+
 | 1 3 5 2 |   6   4   1   1 |       62       13 | (-)     1214 |    0.056052  |
 | 1 3 5 2 |  13   4   1   1 |       69       13 | (-)     1221 |    0.056052  |
 | 6 4 1 2 |   1   1   3   1 |       15       22 | (+)     5571 |   -0.030679  |
 | 6 4 1 2 |   1   1   3   1 |       15       22 | (-)     5571 |    0.030478  |
 | 7 1 1 2 |   1   4   3   1 |       15       25 | (+)    10399 |   -0.030679  |
 | 7 1 1 2 |   1   4   3   1 |       15       25 | (-)    10399 |    0.030478  |
 +=============================================================================+


          Norm of Printed Amplitude Vector :             0.9647


          Printed all single excitations greater than  0.198250


          Printed all double excitations greater than  0.026401


 CCR12 ANSATZ =   0

 CCR12 APPROX =   0

   

 *******************************************************************
 *                                                                 *
 *----------                                             >---------*
 *---------- OUTPUT FROM COUPLED CLUSTER ENERGY PROGRAM  >---------*
 *----------                                             >---------*
 *                                                                 *
 *******************************************************************

 
             The Direct Coupled Cluster Energy Program
             -----------------------------------------


          Number of t1 amplitudes                 :        95
          Number of t2 amplitudes                 :     20492
          Total number of amplitudes in ccsd      :     20587
 
 Iter.  1: Coupled cluster RSTAR energy :    -199.2750260450108613
 Iter.  1: Coupled cluster CC3   energy :    -199.3042598199391193
 Iter.  2: Coupled cluster CC3   energy :    -199.3007738774085453
 Iter.  3: Coupled cluster CC3   energy :    -199.3051308831610982
 Iter.  4: Coupled cluster CC3   energy :    -199.3055534094758627
 Iter.  5: Coupled cluster CC3   energy :    -199.3054667416883774
 Iter.  6: Coupled cluster CC3   energy :    -199.3055351708058254
 Iter.  7: Coupled cluster CC3   energy :    -199.3055059638395505
 Iter.  8: Coupled cluster CC3   energy :    -199.3055086750223381
 Iter.  9: Coupled cluster CC3   energy :    -199.3055120097659199
 Iter. 10: Coupled cluster CC3   energy :    -199.3055107387749842
 Iter. 11: Coupled cluster CC3   energy :    -199.3055124568064400
 Iter. 12: Coupled cluster CC3   energy :    -199.3055125662560556
 Iter. 13: Coupled cluster CC3   energy :    -199.3055129021923904
 Iter. 14: Coupled cluster CC3   energy :    -199.3055122606479586
 Iter. 15: Coupled cluster CC3   energy :    -199.3055124390804451
 Iter. 16: Coupled cluster CC3   energy :    -199.3055125631334761
 Iter. 17: Coupled cluster CC3   energy :    -199.3055126174315888
 Iter. 18: Coupled cluster CC3   energy :    -199.3055126147590386

 CC3   energy converged to within   0.10D-07 is         -199.305512614759
 Final 2-norm of the CC vector function:  9.11322734D-08





             +-------------------------------------------------------+
             ! Final results from the Coupled Cluster energy program !
             +-------------------------------------------------------+



            Total SCF   energy:                  -198.6740565528

            Total RSTAR energy:                  -199.2750260450

            Total CC3   energy:                  -199.3055126148




                   +--------------------------------------------+
                   ! Calculating singlet intermediates for CCLR !
                   +--------------------------------------------+



            E-intermediates calculated 
            Fock-intermediate calculated 
            Gamma-intermediate calculated 
            BF-intermediate calculated 
            C-intermediate calculated 
            D-intermediate calculated 






                   +--------------------------------------------+
                   ! Calculating triplet intermediates for CCLR !
                   +--------------------------------------------+



            Triplet D and CD intermediate calculated 
   

 *******************************************************************
 *                                                                 *
 *---------- OUTPUT FROM COUPLED CLUSTER LINEAR RESPONSE >---------*
 *                                                                 *
 *----------     CALCULATION OF EXCITATION ENERGIES      >---------*
 *                                                                 *
 *******************************************************************



                            +--------------------------+
                            !  CC3 Excitation Energies !
                            +--------------------------+


 --------------------------
 Symmetry class Nr.:     1
 Multiplicity      :     1
 --------------------------

 Length of Excitation vectors in this class is:     20587
 Converging for  3 roots.
 Vector nr.  1 of symmetry  1 found on file - RESTART SUCCESS
 Start vector is a CCSD      RE  vector
 Vector nr.  2 of symmetry  1 found on file - RESTART SUCCESS
 Start vector is a CCSD      RE  vector
 Vector nr.  3 of symmetry  1 found on file - RESTART SUCCESS
 Start vector is a CCSD      RE  vector


 SYMMETRY CLASS NR.    1
 MULTIPLICITY          1


 CC3        excitation energies with Omega=   0.626836
 =====================================================
 (conversion factor used: 1 au = 27.2113957 eV)

 Excitation no.       Hartree               eV 
 --------------       -------               --
         1            0.1241380317        3.3779676761
         2            0.1281144739        3.4861721733
         3            0.5050712757       13.7436885361


 Total excited state energies for states of symmetry/spin    1    1
 Excitation no.       Energy (Hartree) 
 ------------------------------------- 
@@    1    1          -199.181374583044402
@@    1    2          -199.177398140816024
@@    1    3          -198.800441339073814


 Analysis of the Coupled Cluster Excitation Vector Number :  1
 -------------------------------------------------------------

          Excitation Energy :                             3.3780 eV


          CC_PRAM:Overall Contribution of the Different Components
          --------------------------------------------------------



          Single Excitation Contribution :               0.0477 %

          Double Excitation Contribution :              99.9523 %

          ||T1||/||T2||                  :               0.0218

          Norm of Total Amplitude Vector :               1.0000


 +=============================================================================+
 | symmetry|  orbital index  |   Excitation Numbers             |   Amplitude  |
 |  Index  |   a   b   i   j |      NAI      NBJ |     NAIBJ    |              |
 +=============================================================================+
 | 2   2   |   1       1     |       40          |              |   -0.009087  |
 | 3   3   |   1       1     |       47          |              |    0.009087  |
 | 6   6   |   1       1     |       82          |              |    0.010599  |
 | 6   6   |   4       1     |       85          |              |   -0.004445  |
 | 7   7   |   1       1     |       89          |              |   -0.010599  |
 | 7   7   |   4       1     |       92          |              |    0.004445  |
 +-----------------------------------------------------------------------------+
 | 5 5 6 6 |   1   1   1   1 |       52       52 |         5938 |    0.564546  |
 | 5 5 7 7 |   1   1   1   1 |       55       55 |         8446 |   -0.564546  |
 | 5 5 2 2 |   1   1   1   1 |       22       22 |        15107 |   -0.406505  |
 | 5 5 3 3 |   1   1   1   1 |       25       25 |        17525 |    0.406505  |
 +=============================================================================+


          Norm of Printed Amplitude Vector :             0.9840

          Printed all single excitations greater than 0.004366

          Printed all double excitations greater than 0.199952


 Analysis of the Coupled Cluster Excitation Vector Number :  2
 -------------------------------------------------------------

          Excitation Energy :                             3.4862 eV


          CC_PRAM:Overall Contribution of the Different Components
          --------------------------------------------------------



          Single Excitation Contribution :               0.0636 %

          Double Excitation Contribution :              99.9364 %

          ||T1||/||T2||                  :               0.0252

          Norm of Total Amplitude Vector :               1.0000


 +=============================================================================+
 | symmetry|  orbital index  |   Excitation Numbers             |   Amplitude  |
 |  Index  |   a   b   i   j |      NAI      NBJ |     NAIBJ    |              |
 +=============================================================================+
 | 2   2   |   1       1     |       40          |              |    0.009295  |
 | 3   3   |   1       1     |       47          |              |    0.009295  |
 | 5   5   |   1       2     |       68          |              |    0.011613  |
 | 6   6   |   1       1     |       82          |              |   -0.010823  |
 | 7   7   |   1       1     |       89          |              |   -0.010823  |
 +-----------------------------------------------------------------------------+
 | 5 5 6 6 |   1   1   1   1 |       52       52 |         5938 |   -0.551596  |
 | 5 5 7 7 |   1   1   1   1 |       55       55 |         8446 |   -0.551596  |
 | 5 5 2 2 |   1   1   1   1 |       22       22 |        15107 |    0.423466  |
 | 5 5 3 3 |   1   1   1   1 |       25       25 |        17525 |    0.423466  |
 +=============================================================================+


          Norm of Printed Amplitude Vector :             0.9837

          Printed all single excitations greater than 0.005045

          Printed all double excitations greater than 0.199936


 Analysis of the Coupled Cluster Excitation Vector Number :  3
 -------------------------------------------------------------

          Excitation Energy :                            13.7437 eV


          CC_PRAM:Overall Contribution of the Different Components
          --------------------------------------------------------



          Single Excitation Contribution :               7.2790 %

          Double Excitation Contribution :              92.7210 %

          ||T1||/||T2||                  :               0.2802

          Norm of Total Amplitude Vector :               1.0000


 +=============================================================================+
 | symmetry|  orbital index  |   Excitation Numbers             |   Amplitude  |
 |  Index  |   a   b   i   j |      NAI      NBJ |     NAIBJ    |              |
 +=============================================================================+
 | 1   1   |   2       3     |       28          |              |   -0.131141  |
 | 1   1   |   3       3     |       29          |              |   -0.074576  |
 | 5   5   |   1       2     |       68          |              |   -0.212406  |
 +-----------------------------------------------------------------------------+
 | 5 5 6 6 |   1   1   1   1 |       52       52 |         5938 |    0.201204  |
 | 5 5 7 7 |   1   1   1   1 |       55       55 |         8446 |    0.201204  |
 | 5 5 1 1 |   1   1   3   3 |       29       29 |        10633 |   -0.778927  |
 | 5 5 2 2 |   1   1   1   1 |       22       22 |        15107 |    0.291992  |
 | 5 5 3 3 |   1   1   1   1 |       25       25 |        17525 |    0.291992  |
 +=============================================================================+


          Norm of Printed Amplitude Vector :             0.9623

          Printed all single excitations greater than 0.053959

          Printed all double excitations greater than 0.192584
 Vector nr.  1 of symmetry  1 found on file - RESTART SUCCESS
 Start vector is a CC3       RE  vector
 Vector nr.  2 of symmetry  1 found on file - RESTART SUCCESS
 Start vector is a CC3       RE  vector
 Vector nr.  3 of symmetry  1 found on file - RESTART SUCCESS
 Start vector is a CC3       RE  vector


 CC3        excitation energies with Omega=   0.505071
 =====================================================
 (conversion factor used: 1 au = 27.2113957 eV)

 Excitation no.       Hartree               eV
 --------------       -------               --

         1            0.127485            3.469031
         2            0.131374            3.574862
         3            0.509709           13.869895
 Vector nr.  1 of symmetry  1 found on file - RESTART SUCCESS
 Start vector is a CC3       RE  vector
 Vector nr.  2 of symmetry  1 found on file - RESTART SUCCESS
 Start vector is a CC3       RE  vector
 Vector nr.  3 of symmetry  1 found on file - RESTART SUCCESS
 Start vector is a CC3       RE  vector


 CC3        excitation energies with Omega=   0.509709
 =====================================================
 (conversion factor used: 1 au = 27.2113957 eV)

 Excitation no.       Hartree               eV
 --------------       -------               --

         1            0.127360            3.465645
         2            0.131254            3.571603
         3            0.509540           13.865279
 Vector nr.  1 of symmetry  1 found on file - RESTART SUCCESS
 Start vector is a CC3       RE  vector
 Vector nr.  2 of symmetry  1 found on file - RESTART SUCCESS
 Start vector is a CC3       RE  vector
 Vector nr.  3 of symmetry  1 found on file - RESTART SUCCESS
 Start vector is a CC3       RE  vector


 CC3        excitation energies with Omega=   0.509540
 =====================================================
 (conversion factor used: 1 au = 27.2113957 eV)

 Excitation no.       Hartree               eV
 --------------       -------               --

         1            0.127365            3.465767
         2            0.131258            3.571722
         3            0.509545           13.865421

 Converged root to diff. -0.000005  for root   3 in   4 iterations



 Total excited state energies for states of symmetry/spin   1  1
 Excitation no.       Energy (Hartree) 
 ------------------------------------- 
@@@    1    3          -198.795967744122606


 Analysis of the Coupled Cluster Excitation Vector Number :  1
 -------------------------------------------------------------

          Excitation Energy :                             3.4658 eV


          CC_PRAM:Overall Contribution of the Different Components
          --------------------------------------------------------



          Single Excitation Contribution :               0.0485 %

          Double Excitation Contribution :              99.9515 %

          ||T1||/||T2||                  :               0.0220

          Norm of Total Amplitude Vector :               1.0000


 +=============================================================================+
 | symmetry|  orbital index  |   Excitation Numbers             |   Amplitude  |
 |  Index  |   a   b   i   j |      NAI      NBJ |     NAIBJ    |              |
 +=============================================================================+
 | 2   2   |   1       1     |       40          |              |   -0.009197  |
 | 3   3   |   1       1     |       47          |              |    0.009197  |
 | 6   6   |   1       1     |       82          |              |    0.010696  |
 | 6   6   |   4       1     |       85          |              |   -0.004444  |
 | 7   7   |   1       1     |       89          |              |   -0.010696  |
 | 7   7   |   4       1     |       92          |              |    0.004444  |
 +-----------------------------------------------------------------------------+
 | 5 5 6 6 |   1   1   1   1 |       52       52 |         5938 |    0.563627  |
 | 5 5 7 7 |   1   1   1   1 |       55       55 |         8446 |   -0.563627  |
 | 5 5 2 2 |   1   1   1   1 |       22       22 |        15107 |   -0.407691  |
 | 5 5 3 3 |   1   1   1   1 |       25       25 |        17525 |    0.407691  |
 +=============================================================================+


          Norm of Printed Amplitude Vector :             0.9840

          Printed all single excitations greater than 0.004404

          Printed all double excitations greater than 0.199952


 Analysis of the Coupled Cluster Excitation Vector Number :  2
 -------------------------------------------------------------

          Excitation Energy :                             3.5717 eV


          CC_PRAM:Overall Contribution of the Different Components
          --------------------------------------------------------



          Single Excitation Contribution :               0.0645 %

          Double Excitation Contribution :              99.9355 %

          ||T1||/||T2||                  :               0.0254

          Norm of Total Amplitude Vector :               1.0000


 +=============================================================================+
 | symmetry|  orbital index  |   Excitation Numbers             |   Amplitude  |
 |  Index  |   a   b   i   j |      NAI      NBJ |     NAIBJ    |              |
 +=============================================================================+
 | 2   2   |   1       1     |       40          |              |    0.009409  |
 | 3   3   |   1       1     |       47          |              |    0.009409  |
 | 5   5   |   1       2     |       68          |              |    0.011629  |
 | 6   6   |   1       1     |       82          |              |   -0.010920  |
 | 7   7   |   1       1     |       89          |              |   -0.010920  |
 +-----------------------------------------------------------------------------+
 | 5 5 6 6 |   1   1   1   1 |       52       52 |         5938 |   -0.551091  |
 | 5 5 7 7 |   1   1   1   1 |       55       55 |         8446 |   -0.551091  |
 | 5 5 2 2 |   1   1   1   1 |       22       22 |        15107 |    0.424051  |
 | 5 5 3 3 |   1   1   1   1 |       25       25 |        17525 |    0.424051  |
 +=============================================================================+


          Norm of Printed Amplitude Vector :             0.9837

          Printed all single excitations greater than 0.005080

          Printed all double excitations greater than 0.199935


 Analysis of the Coupled Cluster Excitation Vector Number :  3
 -------------------------------------------------------------

          Excitation Energy :                            13.8654 eV


          CC_PRAM:Overall Contribution of the Different Components
          --------------------------------------------------------



          Single Excitation Contribution :               7.4753 %

          Double Excitation Contribution :              92.5247 %

          ||T1||/||T2||                  :               0.2842

          Norm of Total Amplitude Vector :               1.0000


 +=============================================================================+
 | symmetry|  orbital index  |   Excitation Numbers             |   Amplitude  |
 |  Index  |   a   b   i   j |      NAI      NBJ |     NAIBJ    |              |
 +=============================================================================+
 | 1   1   |   2       3     |       28          |              |   -0.133665  |
 | 1   1   |   3       3     |       29          |              |   -0.075715  |
 | 5   5   |   1       2     |       68          |              |   -0.214832  |
 +-----------------------------------------------------------------------------+
 | 5 5 6 6 |   1   1   1   1 |       52       52 |         5938 |    0.194569  |
 | 5 5 7 7 |   1   1   1   1 |       55       55 |         8446 |    0.194569  |
 | 5 5 1 1 |   1   1   3   3 |       29       29 |        10633 |   -0.787575  |
 | 5 5 2 2 |   1   1   1   1 |       22       22 |        15107 |    0.282919  |
 | 5 5 3 3 |   1   1   1   1 |       25       25 |        17525 |    0.282919  |
 +=============================================================================+


          Norm of Printed Amplitude Vector :             0.9622

          Printed all single excitations greater than 0.054682

          Printed all double excitations greater than 0.192380
 Vector nr.  1 of symmetry  1 found on file - RESTART SUCCESS
 Start vector is a CC3       RE  vector
 Vector nr.  2 of symmetry  1 found on file - RESTART SUCCESS
 Start vector is a CC3       RE  vector


 CC3        excitation energies with Omega=   0.131258
 =====================================================
 (conversion factor used: 1 au = 27.2113957 eV)

 Excitation no.       Hartree               eV
 --------------       -------               --

         1            0.136717            3.720272
         2            0.140398            3.820426
 Vector nr.  1 of symmetry  1 found on file - RESTART SUCCESS
 Start vector is a CC3       RE  vector
 Vector nr.  2 of symmetry  1 found on file - RESTART SUCCESS
 Start vector is a CC3       RE  vector


 CC3        excitation energies with Omega=   0.140398
 =====================================================
 (conversion factor used: 1 au = 27.2113957 eV)

 Excitation no.       Hartree               eV
 --------------       -------               --

         1            0.136508            3.714574
         2            0.140194            3.814862
 Vector nr.  1 of symmetry  1 found on file - RESTART SUCCESS
 Start vector is a CC3       RE  vector
 Vector nr.  2 of symmetry  1 found on file - RESTART SUCCESS
 Start vector is a CC3       RE  vector


 CC3        excitation energies with Omega=   0.140194
 =====================================================
 (conversion factor used: 1 au = 27.2113957 eV)

 Excitation no.       Hartree               eV
 --------------       -------               --

         1            0.136513            3.714700
         2            0.140198            3.814986

 Converged root to diff. -0.000005  for root   2 in   4 iterations



 Total excited state energies for states of symmetry/spin   1  1
 Excitation no.       Energy (Hartree) 
 ------------------------------------- 
@@@    1    2          -199.165314457359301


 Analysis of the Coupled Cluster Excitation Vector Number :  1
 -------------------------------------------------------------

          Excitation Energy :                             3.7147 eV


          CC_PRAM:Overall Contribution of the Different Components
          --------------------------------------------------------



          Single Excitation Contribution :               0.0507 %

          Double Excitation Contribution :              99.9493 %

          ||T1||/||T2||                  :               0.0225

          Norm of Total Amplitude Vector :               1.0000


 +=============================================================================+
 | symmetry|  orbital index  |   Excitation Numbers             |   Amplitude  |
 |  Index  |   a   b   i   j |      NAI      NBJ |     NAIBJ    |              |
 +=============================================================================+
 | 2   2   |   1       1     |       40          |              |   -0.009484  |
 | 3   3   |   1       1     |       47          |              |    0.009484  |
 | 6   6   |   1       1     |       82          |              |    0.010956  |
 | 7   7   |   1       1     |       89          |              |   -0.010956  |
 +-----------------------------------------------------------------------------+
 | 5 5 6 6 |   1   1   1   1 |       52       52 |         5938 |    0.561359  |
 | 5 5 7 7 |   1   1   1   1 |       55       55 |         8446 |   -0.561359  |
 | 5 5 2 2 |   1   1   1   1 |       22       22 |        15107 |   -0.410585  |
 | 5 5 3 3 |   1   1   1   1 |       25       25 |        17525 |    0.410585  |
 +=============================================================================+


          Norm of Printed Amplitude Vector :             0.9838

          Printed all single excitations greater than 0.004503

          Printed all double excitations greater than 0.199949


 Analysis of the Coupled Cluster Excitation Vector Number :  2
 -------------------------------------------------------------

          Excitation Energy :                             3.8150 eV


          CC_PRAM:Overall Contribution of the Different Components
          --------------------------------------------------------



          Single Excitation Contribution :               0.0669 %

          Double Excitation Contribution :              99.9331 %

          ||T1||/||T2||                  :               0.0259

          Norm of Total Amplitude Vector :               1.0000


 +=============================================================================+
 | symmetry|  orbital index  |   Excitation Numbers             |   Amplitude  |
 |  Index  |   a   b   i   j |      NAI      NBJ |     NAIBJ    |              |
 +=============================================================================+
 | 2   2   |   1       1     |       40          |              |    0.009699  |
 | 3   3   |   1       1     |       47          |              |    0.009699  |
 | 5   5   |   1       2     |       68          |              |    0.011710  |
 | 6   6   |   1       1     |       82          |              |   -0.011159  |
 | 7   7   |   1       1     |       89          |              |   -0.011159  |
 +-----------------------------------------------------------------------------+
 | 5 5 6 6 |   1   1   1   1 |       52       52 |         5938 |   -0.549819  |
 | 5 5 7 7 |   1   1   1   1 |       55       55 |         8446 |   -0.549819  |
 | 5 5 2 2 |   1   1   1   1 |       22       22 |        15107 |    0.425514  |
 | 5 5 3 3 |   1   1   1   1 |       25       25 |        17525 |    0.425514  |
 +=============================================================================+


          Norm of Printed Amplitude Vector :             0.9835

          Printed all single excitations greater than 0.005172

          Printed all double excitations greater than 0.199933
 Vector nr.  1 of symmetry  1 found on file - RESTART SUCCESS
 Start vector is a CC3       RE  vector


 CC3        excitation energies with Omega=   0.136513
 =====================================================
 (conversion factor used: 1 au = 27.2113957 eV)

 Excitation no.       Hartree               eV
 --------------       -------               --

         1            0.136596            3.716969

 Converged root to diff. -0.000083  for root   1 in   2 iterations



 Total excited state energies for states of symmetry/spin   1  1
 Excitation no.       Energy (Hartree) 
 ------------------------------------- 
@@@    1    1          -199.168916516097937


 Analysis of the Coupled Cluster Excitation Vector Number :  1
 -------------------------------------------------------------

          Excitation Energy :                             3.7170 eV


          CC_PRAM:Overall Contribution of the Different Components
          --------------------------------------------------------



          Single Excitation Contribution :               0.0507 %

          Double Excitation Contribution :              99.9493 %

          ||T1||/||T2||                  :               0.0225

          Norm of Total Amplitude Vector :               1.0000


 +=============================================================================+
 | symmetry|  orbital index  |   Excitation Numbers             |   Amplitude  |
 |  Index  |   a   b   i   j |      NAI      NBJ |     NAIBJ    |              |
 +=============================================================================+
 | 2   2   |   1       1     |       40          |              |   -0.009484  |
 | 3   3   |   1       1     |       47          |              |    0.009484  |
 | 6   6   |   1       1     |       82          |              |    0.010956  |
 | 7   7   |   1       1     |       89          |              |   -0.010956  |
 +-----------------------------------------------------------------------------+
 | 5 5 6 6 |   1   1   1   1 |       52       52 |         5938 |    0.561359  |
 | 5 5 7 7 |   1   1   1   1 |       55       55 |         8446 |   -0.561359  |
 | 5 5 2 2 |   1   1   1   1 |       22       22 |        15107 |   -0.410585  |
 | 5 5 3 3 |   1   1   1   1 |       25       25 |        17525 |    0.410585  |
 +=============================================================================+


          Norm of Printed Amplitude Vector :             0.9838

          Printed all single excitations greater than 0.004503

          Printed all double excitations greater than 0.199949

 --------------------------
 Symmetry class Nr.:     1
 Multiplicity      :     3
 --------------------------

 Length of Excitation vectors in this class is:     41079
 Converging for  3 roots.
 Vector nr.  4 of symmetry  1 found on file - RESTART SUCCESS
 Start vector is a CCSD      RE  vector
 Vector nr.  5 of symmetry  1 found on file - RESTART SUCCESS
 Start vector is a CCSD      RE  vector
 Vector nr.  6 of symmetry  1 found on file - RESTART SUCCESS
 Start vector is a CCSD      RE  vector


 SYMMETRY CLASS NR.    1
 MULTIPLICITY          3


 CC3        excitation energies with Omega=   1.007393
 =====================================================
 (conversion factor used: 1 au = 27.2113957 eV)

 Excitation no.       Hartree               eV 
 --------------       -------               --
         1            0.8092056620       22.0196061733
         2            0.9593677704       26.1057249978
         3            0.9779113976       26.6103227621


 Total excited state energies for states of symmetry/spin    1    3
 Excitation no.       Energy (Hartree) 
 ------------------------------------- 
@@    1    1          -198.496306952767981
@@    1    2          -198.346144844402176
@@    1    3          -198.327601217206450


 Analysis of the Coupled Cluster Excitation Vector Number :  1
 -------------------------------------------------------------

          Excitation Energy :                            22.0196 eV


     CC_PRAM:Overall Contribution of the Different Components
     --------------------------------------------------------



     Single Excitation Contribution      :         95.4878 %

     Double Excitation Contribution (+/-):          0.1927 %    /    4.3195 % 

     ||T1||/||T2||                       :          4.6002

     Norm of Total Amplitude Vector :          1.0000


 +=============================================================================+
 | symmetry|  orbital index  |   Excitation Numbers             |   Amplitude  |
 |  Index  |   a   b   i   j |      NAI      NBJ |     NAIBJ    |              |
 +=============================================================================+
 | 5   5   |   1       2     |       68          |              |    0.959367  |
 +-----------------------------------------------------------------------------+
 | 5 5 1 1 |   1   1   3   2 |       29       15 | (-)    10619 |    0.163129  |
 +=============================================================================+


          Norm of Printed Amplitude Vector :             0.9731


          Printed all single excitations greater than  0.195436


          Printed all double excitations greater than  0.042484


 Analysis of the Coupled Cluster Excitation Vector Number :  2
 -------------------------------------------------------------

          Excitation Energy :                            26.1057 eV


     CC_PRAM:Overall Contribution of the Different Components
     --------------------------------------------------------



     Single Excitation Contribution      :         96.2764 %

     Double Excitation Contribution (+/-):          0.4720 %    /    3.2516 % 

     ||T1||/||T2||                       :          5.0849

     Norm of Total Amplitude Vector :          1.0000


 +=============================================================================+
 | symmetry|  orbital index  |   Excitation Numbers             |   Amplitude  |
 |  Index  |   a   b   i   j |      NAI      NBJ |     NAIBJ    |              |
 +=============================================================================+
 | 2   2   |   1       1     |       40          |              |    0.595469  |
 | 3   3   |   1       1     |       47          |              |    0.595470  |
 | 6   6   |   1       1     |       82          |              |    0.310996  |
 | 7   7   |   1       1     |       89          |              |    0.310996  |
 +-----------------------------------------------------------------------------+
 | 5 2 6 1 |   1   1   1   3 |       52       15 | (-)     5901 |    0.085780  |
 | 5 3 7 1 |   1   1   1   3 |       55       15 | (-)     8406 |    0.085780  |
 | 2 5 6 1 |   1   1   1   3 |       83       29 | (-)    13630 |   -0.059398  |
 | 3 5 7 1 |   1   1   1   3 |       90       29 | (-)    14232 |   -0.059398  |
 | 5 6 2 1 |   1   1   1   3 |       22       15 | (-)    15100 |    0.044634  |
 | 5 7 3 1 |   1   1   1   3 |       25       15 | (-)    17515 |    0.044634  |
 +=============================================================================+


          Norm of Printed Amplitude Vector :             0.9635


          Printed all single excitations greater than  0.196241


          Printed all double excitations greater than  0.038593


 Analysis of the Coupled Cluster Excitation Vector Number :  3
 -------------------------------------------------------------

          Excitation Energy :                            26.6103 eV


     CC_PRAM:Overall Contribution of the Different Components
     --------------------------------------------------------



     Single Excitation Contribution      :          5.2742 %

     Double Excitation Contribution (+/-):         32.5740 %    /   62.1518 % 

     ||T1||/||T2||                       :          0.2360

     Norm of Total Amplitude Vector :          1.0000


 +=============================================================================+
 | symmetry|  orbital index  |   Excitation Numbers             |   Amplitude  |
 |  Index  |   a   b   i   j |      NAI      NBJ |     NAIBJ    |              |
 +=============================================================================+
 | 1   1   |   1       3     |       27          |              |   -0.217851  |
 | 5   5   |   1       2     |       68          |              |    0.064152  |
 +-----------------------------------------------------------------------------+
 | 5 1 6 2 |   1   1   1   1 |       52       22 | (+)     5908 |   -0.397133  |
 | 5 1 6 2 |   1   1   1   1 |       52       22 | (-)     5908 |    0.352033  |
 | 5 1 7 3 |   1   1   1   1 |       55       25 | (+)     8416 |   -0.397136  |
 | 5 1 7 3 |   1   1   1   1 |       55       25 | (-)     8416 |    0.352035  |
 | 1 5 6 2 |   1   1   1   1 |       53       22 | (-)    16254 |    0.387023  |
 | 1 5 7 3 |   1   1   1   1 |       56       25 | (-)    18765 |    0.387025  |
 +=============================================================================+


          Norm of Printed Amplitude Vector :             0.9563


          Printed all single excitations greater than  0.045931


          Printed all double excitations greater than  0.194654
 Vector nr.  4 of symmetry  1 found on file - RESTART SUCCESS
 Start vector is a CC3       RE  vector
 Vector nr.  5 of symmetry  1 found on file - RESTART SUCCESS
 Start vector is a CC3       RE  vector
 Vector nr.  6 of symmetry  1 found on file - RESTART SUCCESS
 Start vector is a CC3       RE  vector


 CC3        excitation energies with Omega=   0.977911
 =====================================================
 (conversion factor used: 1 au = 27.2113957 eV)

 Excitation no.       Hartree               eV
 --------------       -------               --

         1            0.809376           22.024254
         2            0.959440           26.107702
         3            0.978942           26.638360
 Vector nr.  4 of symmetry  1 found on file - RESTART SUCCESS
 Start vector is a CC3       RE  vector
 Vector nr.  5 of symmetry  1 found on file - RESTART SUCCESS
 Start vector is a CC3       RE  vector
 Vector nr.  6 of symmetry  1 found on file - RESTART SUCCESS
 Start vector is a CC3       RE  vector


 CC3        excitation energies with Omega=   0.978942
 =====================================================
 (conversion factor used: 1 au = 27.2113957 eV)

 Excitation no.       Hartree               eV
 --------------       -------               --

         1            0.809375           22.024210
         2            0.959442           26.107737
         3            0.978907           26.637420

 Converged root to diff.  0.000035  for root   3 in   3 iterations



 Total excited state energies for states of symmetry/spin   1  3
 Excitation no.       Energy (Hartree) 
 ------------------------------------- 
@@@    1    3          -198.326605408272741


 Analysis of the Coupled Cluster Excitation Vector Number :  1
 -------------------------------------------------------------

          Excitation Energy :                            22.0242 eV


     CC_PRAM:Overall Contribution of the Different Components
     --------------------------------------------------------



     Single Excitation Contribution      :         95.5014 %

     Double Excitation Contribution (+/-):          0.1923 %    /    4.3063 % 

     ||T1||/||T2||                       :          4.6075

     Norm of Total Amplitude Vector :          1.0000


 +=============================================================================+
 | symmetry|  orbital index  |   Excitation Numbers             |   Amplitude  |
 |  Index  |   a   b   i   j |      NAI      NBJ |     NAIBJ    |              |
 +=============================================================================+
 | 5   5   |   1       2     |       68          |              |    0.959399  |
 +-----------------------------------------------------------------------------+
 | 5 5 1 1 |   1   1   3   2 |       29       15 | (-)    10619 |    0.162870  |
 +=============================================================================+


          Norm of Printed Amplitude Vector :             0.9731


          Printed all single excitations greater than  0.195450


          Printed all double excitations greater than  0.042420


 Analysis of the Coupled Cluster Excitation Vector Number :  2
 -------------------------------------------------------------

          Excitation Energy :                            26.1077 eV


     CC_PRAM:Overall Contribution of the Different Components
     --------------------------------------------------------



     Single Excitation Contribution      :         96.3085 %

     Double Excitation Contribution (+/-):          0.4699 %    /    3.2216 % 

     ||T1||/||T2||                       :          5.1078

     Norm of Total Amplitude Vector :          1.0000


 +=============================================================================+
 | symmetry|  orbital index  |   Excitation Numbers             |   Amplitude  |
 |  Index  |   a   b   i   j |      NAI      NBJ |     NAIBJ    |              |
 +=============================================================================+
 | 2   2   |   1       1     |       40          |              |    0.595629  |
 | 3   3   |   1       1     |       47          |              |    0.595629  |
 | 6   6   |   1       1     |       82          |              |    0.311080  |
 | 7   7   |   1       1     |       89          |              |    0.311080  |
 +-----------------------------------------------------------------------------+
 | 5 2 6 1 |   1   1   1   3 |       52       15 | (-)     5901 |    0.085277  |
 | 5 3 7 1 |   1   1   1   3 |       55       15 | (-)     8406 |    0.085277  |
 | 2 5 6 1 |   1   1   1   3 |       83       29 | (-)    13630 |   -0.059254  |
 | 3 5 7 1 |   1   1   1   3 |       90       29 | (-)    14232 |   -0.059254  |
 | 5 6 2 1 |   1   1   1   3 |       22       15 | (-)    15100 |    0.044433  |
 | 5 7 3 1 |   1   1   1   3 |       25       15 | (-)    17515 |    0.044433  |
 +=============================================================================+


          Norm of Printed Amplitude Vector :             0.9636


          Printed all single excitations greater than  0.196274


          Printed all double excitations greater than  0.038427


 Analysis of the Coupled Cluster Excitation Vector Number :  3
 -------------------------------------------------------------

          Excitation Energy :                            26.6374 eV


     CC_PRAM:Overall Contribution of the Different Components
     --------------------------------------------------------



     Single Excitation Contribution      :          5.5193 %

     Double Excitation Contribution (+/-):         32.4055 %    /   62.0752 % 

     ||T1||/||T2||                       :          0.2417

     Norm of Total Amplitude Vector :          1.0000


 +=============================================================================+
 | symmetry|  orbital index  |   Excitation Numbers             |   Amplitude  |
 |  Index  |   a   b   i   j |      NAI      NBJ |     NAIBJ    |              |
 +=============================================================================+
 | 1   1   |   1       3     |       27          |              |   -0.223698  |
 | 5   5   |   1       2     |       68          |              |    0.062786  |
 +-----------------------------------------------------------------------------+
 | 5 1 6 2 |   1   1   1   1 |       52       22 | (+)     5908 |   -0.396079  |
 | 5 1 6 2 |   1   1   1   1 |       52       22 | (-)     5908 |    0.351687  |
 | 5 1 7 3 |   1   1   1   1 |       55       25 | (+)     8416 |   -0.396081  |
 | 5 1 7 3 |   1   1   1   1 |       55       25 | (-)     8416 |    0.351689  |
 | 1 5 6 2 |   1   1   1   1 |       53       22 | (-)    16254 |    0.387013  |
 | 1 5 7 3 |   1   1   1   1 |       56       25 | (-)    18765 |    0.387015  |
 +=============================================================================+


          Norm of Printed Amplitude Vector :             0.9564


          Printed all single excitations greater than  0.046987


          Printed all double excitations greater than  0.194402
 Vector nr.  4 of symmetry  1 found on file - RESTART SUCCESS
 Start vector is a CC3       RE  vector
 Vector nr.  5 of symmetry  1 found on file - RESTART SUCCESS
 Start vector is a CC3       RE  vector


 CC3        excitation energies with Omega=   0.959442
 =====================================================
 (conversion factor used: 1 au = 27.2113957 eV)

 Excitation no.       Hartree               eV
 --------------       -------               --

         1            0.809480           22.027061
         2            0.959488           26.109001

 Converged root to diff. -0.000046  for root   2 in   2 iterations



 Total excited state energies for states of symmetry/spin   1  3
 Excitation no.       Energy (Hartree) 
 ------------------------------------- 
@@@    1    2          -198.346024435686047


 Analysis of the Coupled Cluster Excitation Vector Number :  1
 -------------------------------------------------------------

          Excitation Energy :                            22.0271 eV


     CC_PRAM:Overall Contribution of the Different Components
     --------------------------------------------------------



     Single Excitation Contribution      :         95.5095 %

     Double Excitation Contribution (+/-):          0.1920 %    /    4.2985 % 

     ||T1||/||T2||                       :          4.6119

     Norm of Total Amplitude Vector :          1.0000


 +=============================================================================+
 | symmetry|  orbital index  |   Excitation Numbers             |   Amplitude  |
 |  Index  |   a   b   i   j |      NAI      NBJ |     NAIBJ    |              |
 +=============================================================================+
 | 5   5   |   1       2     |       68          |              |    0.959425  |
 +-----------------------------------------------------------------------------+
 | 5 5 1 1 |   1   1   3   2 |       29       15 | (-)    10619 |    0.162710  |
 +=============================================================================+


          Norm of Printed Amplitude Vector :             0.9731


          Printed all single excitations greater than  0.195458


          Printed all double excitations greater than  0.042382


 Analysis of the Coupled Cluster Excitation Vector Number :  2
 -------------------------------------------------------------

          Excitation Energy :                            26.1090 eV


     CC_PRAM:Overall Contribution of the Different Components
     --------------------------------------------------------



     Single Excitation Contribution      :         96.3288 %

     Double Excitation Contribution (+/-):          0.4678 %    /    3.2034 % 

     ||T1||/||T2||                       :          5.1224

     Norm of Total Amplitude Vector :          1.0000


 +=============================================================================+
 | symmetry|  orbital index  |   Excitation Numbers             |   Amplitude  |
 |  Index  |   a   b   i   j |      NAI      NBJ |     NAIBJ    |              |
 +=============================================================================+
 | 2   2   |   1       1     |       40          |              |    0.595729  |
 | 3   3   |   1       1     |       47          |              |    0.595729  |
 | 6   6   |   1       1     |       82          |              |    0.311131  |
 | 7   7   |   1       1     |       89          |              |    0.311131  |
 +-----------------------------------------------------------------------------+
 | 5 2 6 1 |   1   1   1   3 |       52       15 | (-)     5901 |    0.084974  |
 | 5 3 7 1 |   1   1   1   3 |       55       15 | (-)     8406 |    0.084974  |
 | 2 5 6 1 |   1   1   1   3 |       83       29 | (-)    13630 |   -0.059159  |
 | 3 5 7 1 |   1   1   1   3 |       90       29 | (-)    14232 |   -0.059159  |
 | 5 6 2 1 |   1   1   1   3 |       22       15 | (-)    15100 |    0.044308  |
 | 5 7 3 1 |   1   1   1   3 |       25       15 | (-)    17515 |    0.044308  |
 +=============================================================================+


          Norm of Printed Amplitude Vector :             0.9637


          Printed all single excitations greater than  0.196294


          Printed all double excitations greater than  0.038321
 Vector nr.  4 of symmetry  1 found on file - RESTART SUCCESS
 Start vector is a CC3       RE  vector


 CC3        excitation energies with Omega=   0.809480
 =====================================================
 (conversion factor used: 1 au = 27.2113957 eV)

 Excitation no.       Hartree               eV
 --------------       -------               --

         1            0.810304           22.049490
 Vector nr.  4 of symmetry  1 found on file - RESTART SUCCESS
 Start vector is a CC3       RE  vector


 CC3        excitation energies with Omega=   0.810304
 =====================================================
 (conversion factor used: 1 au = 27.2113957 eV)

 Excitation no.       Hartree               eV
 --------------       -------               --

         1            0.810303           22.049459

 Converged root to diff.  0.000001  for root   1 in   3 iterations



 Total excited state energies for states of symmetry/spin   1  3
 Excitation no.       Energy (Hartree) 
 ------------------------------------- 
@@@    1    1          -198.495209898892909


 Analysis of the Coupled Cluster Excitation Vector Number :  1
 -------------------------------------------------------------

          Excitation Energy :                            22.0495 eV


     CC_PRAM:Overall Contribution of the Different Components
     --------------------------------------------------------



     Single Excitation Contribution      :         95.5758 %

     Double Excitation Contribution (+/-):          0.1898 %    /    4.2344 % 

     ||T1||/||T2||                       :          4.6479

     Norm of Total Amplitude Vector :          1.0000


 +=============================================================================+
 | symmetry|  orbital index  |   Excitation Numbers             |   Amplitude  |
 |  Index  |   a   b   i   j |      NAI      NBJ |     NAIBJ    |              |
 +=============================================================================+
 | 5   5   |   1       2     |       68          |              |    0.959592  |
 +-----------------------------------------------------------------------------+
 | 5 5 1 1 |   1   1   3   2 |       29       15 | (-)    10619 |    0.161361  |
 +=============================================================================+


          Norm of Printed Amplitude Vector :             0.9731


          Printed all single excitations greater than  0.195526


          Printed all double excitations greater than  0.042067


 *******************************************************************************

 --------------------------
 Symmetry class Nr.:     2
 Multiplicity      :     1
 --------------------------

 Length of Excitation vectors in this class is:     18904
 Converging for  3 roots.
 Vector nr.  7 of symmetry  2 found on file - RESTART SUCCESS
 Start vector is a CCSD      RE  vector
 Vector nr.  8 of symmetry  2 found on file - RESTART SUCCESS
 Start vector is a CCSD      RE  vector
 Vector nr.  9 of symmetry  2 found on file - RESTART SUCCESS
 Start vector is a CCSD      RE  vector


 SYMMETRY CLASS NR.    2
 MULTIPLICITY          1


 CC3        excitation energies with Omega=   0.944526
 =====================================================
 (conversion factor used: 1 au = 27.2113957 eV)

 Excitation no.       Hartree               eV 
 --------------       -------               --
         1            0.0540636626        1.4711470935
         2            0.4957346549       13.4896261616
         3            0.9326518691       25.3787483436


 Total excited state energies for states of symmetry/spin    2    1
 Excitation no.       Energy (Hartree) 
 ------------------------------------- 
@@    2    1          -199.251448952206914
@@    2    2          -198.809777959824032
@@    2    3          -198.372860745682402


 Analysis of the Coupled Cluster Excitation Vector Number :  1
 -------------------------------------------------------------

          Excitation Energy :                             1.4711 eV


          CC_PRAM:Overall Contribution of the Different Components
          --------------------------------------------------------



          Single Excitation Contribution :              76.9887 %

          Double Excitation Contribution :              23.0113 %

          ||T1||/||T2||                  :               1.8291

          Norm of Total Amplitude Vector :               1.0000


 +=============================================================================+
 | symmetry|  orbital index  |   Excitation Numbers             |   Amplitude  |
 |  Index  |   a   b   i   j |      NAI      NBJ |     NAIBJ    |              |
 +=============================================================================+
 | 5   6   |   1       1     |       52          |              |    0.873556  |
 +-----------------------------------------------------------------------------+
 | 6 5 1 1 |   5   3   1   3 |        5       31 |        11429 |    0.454173  |
 +=============================================================================+


          Norm of Printed Amplitude Vector :             0.9846

          Printed all single excitations greater than 0.175486

          Printed all double excitations greater than 0.095940


 Analysis of the Coupled Cluster Excitation Vector Number :  2
 -------------------------------------------------------------

          Excitation Energy :                            13.4896 eV


          CC_PRAM:Overall Contribution of the Different Components
          --------------------------------------------------------



          Single Excitation Contribution :              19.0323 %

          Double Excitation Contribution :              80.9677 %

          ||T1||/||T2||                  :               0.4848

          Norm of Total Amplitude Vector :               1.0000


 +=============================================================================+
 | symmetry|  orbital index  |   Excitation Numbers             |   Amplitude  |
 |  Index  |   a   b   i   j |      NAI      NBJ |     NAIBJ    |              |
 +=============================================================================+
 | 1   2   |   2       1     |       23          |              |   -0.092580  |
 | 5   6   |   1       1     |       52          |              |    0.420053  |
 +-----------------------------------------------------------------------------+
 | 6 5 1 1 |   5   3   1   3 |        5       31 |        11429 |   -0.867042  |
 +=============================================================================+


          Norm of Printed Amplitude Vector :             0.9679

          Printed all single excitations greater than 0.087252

          Printed all double excitations greater than 0.179964


 Analysis of the Coupled Cluster Excitation Vector Number :  3
 -------------------------------------------------------------

          Excitation Energy :                            25.3787 eV


          CC_PRAM:Overall Contribution of the Different Components
          --------------------------------------------------------



          Single Excitation Contribution :              67.8482 %

          Double Excitation Contribution :              32.1518 %

          ||T1||/||T2||                  :               1.4527

          Norm of Total Amplitude Vector :               1.0000


 +=============================================================================+
 | symmetry|  orbital index  |   Excitation Numbers             |   Amplitude  |
 |  Index  |   a   b   i   j |      NAI      NBJ |     NAIBJ    |              |
 +=============================================================================+
 | 1   2   |   1       1     |       22          |              |    0.781546  |
 | 5   6   |   2       1     |       53          |              |    0.247361  |
 +-----------------------------------------------------------------------------+
 | 2 5 1 5 |   3   6   3   2 |       17       73 |         4913 |   -0.348018  |
 | 6 5 5 5 |   7   5   1   2 |       44       72 |         4872 |    0.145336  |
 | 1 5 6 1 |   7   2   1   3 |       59       30 |        11415 |    0.290751  |
 | 1 1 6 5 |   5   5   1   2 |       57       74 |        14405 |    0.226090  |
 +=============================================================================+


          Norm of Printed Amplitude Vector :             0.9746

          Printed all single excitations greater than 0.164740

          Printed all double excitations greater than 0.113405
 Vector nr.  7 of symmetry  2 found on file - RESTART SUCCESS
 Start vector is a CC3       RE  vector
 Vector nr.  8 of symmetry  2 found on file - RESTART SUCCESS
 Start vector is a CC3       RE  vector
 Vector nr.  9 of symmetry  2 found on file - RESTART SUCCESS
 Start vector is a CC3       RE  vector


 CC3        excitation energies with Omega=   0.932652
 =====================================================
 (conversion factor used: 1 au = 27.2113957 eV)

 Excitation no.       Hartree               eV
 --------------       -------               --

         1            0.054148            1.473442
         2            0.496204           13.502390
         3            0.932763           25.381777
 Vector nr.  7 of symmetry  2 found on file - RESTART SUCCESS
 Start vector is a CC3       RE  vector
 Vector nr.  8 of symmetry  2 found on file - RESTART SUCCESS
 Start vector is a CC3       RE  vector
 Vector nr.  9 of symmetry  2 found on file - RESTART SUCCESS
 Start vector is a CC3       RE  vector


 CC3        excitation energies with Omega=   0.932763
 =====================================================
 (conversion factor used: 1 au = 27.2113957 eV)

 Excitation no.       Hartree               eV
 --------------       -------               --

         1            0.054147            1.473420
         2            0.496199           13.502267
         3            0.932763           25.381759

 Converged root to diff.  0.000001  for root   3 in   3 iterations



 Total excited state energies for states of symmetry/spin   2  1
 Excitation no.       Energy (Hartree) 
 ------------------------------------- 
@@@    2    3          -198.372750113570731


 Analysis of the Coupled Cluster Excitation Vector Number :  1
 -------------------------------------------------------------

          Excitation Energy :                             1.4734 eV


          CC_PRAM:Overall Contribution of the Different Components
          --------------------------------------------------------



          Single Excitation Contribution :              77.0202 %

          Double Excitation Contribution :              22.9798 %

          ||T1||/||T2||                  :               1.8308

          Norm of Total Amplitude Vector :               1.0000


 +=============================================================================+
 | symmetry|  orbital index  |   Excitation Numbers             |   Amplitude  |
 |  Index  |   a   b   i   j |      NAI      NBJ |     NAIBJ    |              |
 +=============================================================================+
 | 5   6   |   1       1     |       52          |              |    0.873736  |
 +-----------------------------------------------------------------------------+
 | 6 5 1 1 |   5   3   1   3 |        5       31 |        11429 |    0.453834  |
 +=============================================================================+


          Norm of Printed Amplitude Vector :             0.9846

          Printed all single excitations greater than 0.175522

          Printed all double excitations greater than 0.095874


 Analysis of the Coupled Cluster Excitation Vector Number :  2
 -------------------------------------------------------------

          Excitation Energy :                            13.5023 eV


          CC_PRAM:Overall Contribution of the Different Components
          --------------------------------------------------------



          Single Excitation Contribution :              19.0189 %

          Double Excitation Contribution :              80.9811 %

          ||T1||/||T2||                  :               0.4846

          Norm of Total Amplitude Vector :               1.0000


 +=============================================================================+
 | symmetry|  orbital index  |   Excitation Numbers             |   Amplitude  |
 |  Index  |   a   b   i   j |      NAI      NBJ |     NAIBJ    |              |
 +=============================================================================+
 | 1   2   |   2       1     |       23          |              |   -0.092662  |
 | 5   6   |   1       1     |       52          |              |    0.419863  |
 +-----------------------------------------------------------------------------+
 | 6 5 1 1 |   5   3   1   3 |        5       31 |        11429 |   -0.867066  |
 +=============================================================================+


          Norm of Printed Amplitude Vector :             0.9678

          Printed all single excitations greater than 0.087221

          Printed all double excitations greater than 0.179979


 Analysis of the Coupled Cluster Excitation Vector Number :  3
 -------------------------------------------------------------

          Excitation Energy :                            25.3818 eV


          CC_PRAM:Overall Contribution of the Different Components
          --------------------------------------------------------



          Single Excitation Contribution :              68.2189 %

          Double Excitation Contribution :              31.7811 %

          ||T1||/||T2||                  :               1.4651

          Norm of Total Amplitude Vector :               1.0000


 +=============================================================================+
 | symmetry|  orbital index  |   Excitation Numbers             |   Amplitude  |
 |  Index  |   a   b   i   j |      NAI      NBJ |     NAIBJ    |              |
 +=============================================================================+
 | 1   2   |   1       1     |       22          |              |    0.783356  |
 | 5   6   |   2       1     |       53          |              |    0.249219  |
 +-----------------------------------------------------------------------------+
 | 2 5 1 5 |   3   6   3   2 |       17       73 |         4913 |   -0.344849  |
 | 6 5 5 5 |   7   5   1   2 |       44       72 |         4872 |    0.145393  |
 | 1 5 6 1 |   7   2   1   3 |       59       30 |        11415 |    0.288299  |
 | 1 1 6 5 |   5   5   1   2 |       57       74 |        14405 |    0.225868  |
 +=============================================================================+


          Norm of Printed Amplitude Vector :             0.9747

          Printed all single excitations greater than 0.165189

          Printed all double excitations greater than 0.112749
 Vector nr.  7 of symmetry  2 found on file - RESTART SUCCESS
 Start vector is a CC3       RE  vector
 Vector nr.  8 of symmetry  2 found on file - RESTART SUCCESS
 Start vector is a CC3       RE  vector


 CC3        excitation energies with Omega=   0.496199
 =====================================================
 (conversion factor used: 1 au = 27.2113957 eV)

 Excitation no.       Hartree               eV
 --------------       -------               --

         1            0.056951            1.549727
         2            0.511036           13.905997
 Vector nr.  7 of symmetry  2 found on file - RESTART SUCCESS
 Start vector is a CC3       RE  vector
 Vector nr.  8 of symmetry  2 found on file - RESTART SUCCESS
 Start vector is a CC3       RE  vector


 CC3        excitation energies with Omega=   0.511036
 =====================================================
 (conversion factor used: 1 au = 27.2113957 eV)

 Excitation no.       Hartree               eV
 --------------       -------               --

         1            0.056864            1.547335
         2            0.510596           13.894030
 Vector nr.  7 of symmetry  2 found on file - RESTART SUCCESS
 Start vector is a CC3       RE  vector
 Vector nr.  8 of symmetry  2 found on file - RESTART SUCCESS
 Start vector is a CC3       RE  vector


 CC3        excitation energies with Omega=   0.510596
 =====================================================
 (conversion factor used: 1 au = 27.2113957 eV)

 Excitation no.       Hartree               eV
 --------------       -------               --

         1            0.056866            1.547404
         2            0.510610           13.894396

 Converged root to diff. -0.000013  for root   2 in   4 iterations



 Total excited state energies for states of symmetry/spin   2  1
 Excitation no.       Energy (Hartree) 
 ------------------------------------- 
@@@    2    2          -198.794902956218550


 Analysis of the Coupled Cluster Excitation Vector Number :  1
 -------------------------------------------------------------

          Excitation Energy :                             1.5474 eV


          CC_PRAM:Overall Contribution of the Different Components
          --------------------------------------------------------



          Single Excitation Contribution :              77.9761 %

          Double Excitation Contribution :              22.0239 %

          ||T1||/||T2||                  :               1.8816

          Norm of Total Amplitude Vector :               1.0000


 +=============================================================================+
 | symmetry|  orbital index  |   Excitation Numbers             |   Amplitude  |
 |  Index  |   a   b   i   j |      NAI      NBJ |     NAIBJ    |              |
 +=============================================================================+
 | 5   6   |   1       1     |       52          |              |    0.879171  |
 +-----------------------------------------------------------------------------+
 | 6 5 1 1 |   5   3   1   3 |        5       31 |        11429 |    0.443462  |
 +=============================================================================+


          Norm of Printed Amplitude Vector :             0.9847

          Printed all single excitations greater than 0.176608

          Printed all double excitations greater than 0.093859


 Analysis of the Coupled Cluster Excitation Vector Number :  2
 -------------------------------------------------------------

          Excitation Energy :                            13.8944 eV


          CC_PRAM:Overall Contribution of the Different Components
          --------------------------------------------------------



          Single Excitation Contribution :              18.5810 %

          Double Excitation Contribution :              81.4190 %

          ||T1||/||T2||                  :               0.4777

          Norm of Total Amplitude Vector :               1.0000


 +=============================================================================+
 | symmetry|  orbital index  |   Excitation Numbers             |   Amplitude  |
 |  Index  |   a   b   i   j |      NAI      NBJ |     NAIBJ    |              |
 +=============================================================================+
 | 1   2   |   2       1     |       23          |              |   -0.095254  |
 | 5   6   |   1       1     |       52          |              |    0.413618  |
 +-----------------------------------------------------------------------------+
 | 6 5 1 1 |   5   3   1   3 |        5       31 |        11429 |   -0.868060  |
 +=============================================================================+


          Norm of Printed Amplitude Vector :             0.9663

          Printed all single excitations greater than 0.086211

          Printed all double excitations greater than 0.180465
 Vector nr.  7 of symmetry  2 found on file - RESTART SUCCESS
 Start vector is a CC3       RE  vector


 CC3        excitation energies with Omega=   0.056866
 =====================================================
 (conversion factor used: 1 au = 27.2113957 eV)

 Excitation no.       Hartree               eV
 --------------       -------               --

         1            0.059305            1.613773
 Vector nr.  7 of symmetry  2 found on file - RESTART SUCCESS
 Start vector is a CC3       RE  vector


 CC3        excitation energies with Omega=   0.059305
 =====================================================
 (conversion factor used: 1 au = 27.2113957 eV)

 Excitation no.       Hartree               eV
 --------------       -------               --

         1            0.059293            1.613453

 Converged root to diff.  0.000012  for root   1 in   3 iterations



 Total excited state energies for states of symmetry/spin   2  1
 Excitation no.       Energy (Hartree) 
 ------------------------------------- 
@@@    2    1          -199.246219289107927


 Analysis of the Coupled Cluster Excitation Vector Number :  1
 -------------------------------------------------------------

          Excitation Energy :                             1.6135 eV


          CC_PRAM:Overall Contribution of the Different Components
          --------------------------------------------------------



          Single Excitation Contribution :              78.7434 %

          Double Excitation Contribution :              21.2566 %

          ||T1||/||T2||                  :               1.9247

          Norm of Total Amplitude Vector :               1.0000


 +=============================================================================+
 | symmetry|  orbital index  |   Excitation Numbers             |   Amplitude  |
 |  Index  |   a   b   i   j |      NAI      NBJ |     NAIBJ    |              |
 +=============================================================================+
 | 5   6   |   1       1     |       52          |              |    0.883508  |
 +-----------------------------------------------------------------------------+
 | 6 5 1 1 |   5   3   1   3 |        5       31 |        11429 |    0.434955  |
 +=============================================================================+


          Norm of Printed Amplitude Vector :             0.9848

          Printed all single excitations greater than 0.177475

          Printed all double excitations greater than 0.092210


 *******************************************************************************

 --------------------------
 Symmetry class Nr.:     2
 Multiplicity      :     3
 --------------------------

 Length of Excitation vectors in this class is:     37740
 Converging for  3 roots.
 Vector nr. 10 of symmetry  2 found on file - RESTART SUCCESS
 Start vector is a CCSD      RE  vector
 Vector nr. 11 of symmetry  2 found on file - RESTART SUCCESS
 Start vector is a CCSD      RE  vector
 Vector nr. 12 of symmetry  2 found on file - RESTART SUCCESS
 Start vector is a CCSD      RE  vector


 SYMMETRY CLASS NR.    2
 MULTIPLICITY          3


 CC3        excitation energies with Omega=   0.897443
 =====================================================
 (conversion factor used: 1 au = 27.2113957 eV)

 Excitation no.       Hartree               eV 
 --------------       -------               --
         1            0.0339229462        0.9230903231
         2            0.4164361938       11.3318052688
         3            0.8867883714       24.1307390881


 Total excited state energies for states of symmetry/spin    2    3
 Excitation no.       Energy (Hartree) 
 ------------------------------------- 
@@    2    1          -199.271589668538269
@@    2    2          -198.889076420945173
@@    2    3          -198.418724243321094


 Analysis of the Coupled Cluster Excitation Vector Number :  1
 -------------------------------------------------------------

          Excitation Energy :                             0.9231 eV


     CC_PRAM:Overall Contribution of the Different Components
     --------------------------------------------------------



     Single Excitation Contribution      :         95.0099 %

     Double Excitation Contribution (+/-):          0.1359 %    /    4.8542 % 

     ||T1||/||T2||                       :          4.3635

     Norm of Total Amplitude Vector :          1.0000


 +=============================================================================+
 | symmetry|  orbital index  |   Excitation Numbers             |   Amplitude  |
 |  Index  |   a   b   i   j |      NAI      NBJ |     NAIBJ    |              |
 +=============================================================================+
 | 5   6   |   1       1     |       52          |              |    0.968690  |
 +-----------------------------------------------------------------------------+
 | 6 5 1 1 |   5   3   1   3 |        5       31 | (-)    11429 |   -0.202689  |
 +=============================================================================+


          Norm of Printed Amplitude Vector :             0.9897


          Printed all single excitations greater than  0.194946


          Printed all double excitations greater than  0.044677


 Analysis of the Coupled Cluster Excitation Vector Number :  2
 -------------------------------------------------------------

          Excitation Energy :                            11.3318 eV


     CC_PRAM:Overall Contribution of the Different Components
     --------------------------------------------------------



     Single Excitation Contribution      :         36.3634 %

     Double Excitation Contribution (+/-):          2.0175 %    /   61.6191 % 

     ||T1||/||T2||                       :          0.7559

     Norm of Total Amplitude Vector :          1.0000


 +=============================================================================+
 | symmetry|  orbital index  |   Excitation Numbers             |   Amplitude  |
 |  Index  |   a   b   i   j |      NAI      NBJ |     NAIBJ    |              |
 +=============================================================================+
 | 1   2   |   2       1     |       23          |              |   -0.158326  |
 | 5   6   |   1       1     |       52          |              |    0.569095  |
 +-----------------------------------------------------------------------------+
 | 6 5 1 1 |   5   3   1   3 |        5       31 | (-)    11429 |    0.760886  |
 +=============================================================================+


          Norm of Printed Amplitude Vector :             0.9633


          Printed all single excitations greater than  0.120604


          Printed all double excitations greater than  0.159545


 Analysis of the Coupled Cluster Excitation Vector Number :  3
 -------------------------------------------------------------

          Excitation Energy :                            24.1307 eV


     CC_PRAM:Overall Contribution of the Different Components
     --------------------------------------------------------



     Single Excitation Contribution      :         94.3167 %

     Double Excitation Contribution (+/-):          0.3351 %    /    5.3482 % 

     ||T1||/||T2||                       :          4.0737

     Norm of Total Amplitude Vector :          1.0000


 +=============================================================================+
 | symmetry|  orbital index  |   Excitation Numbers             |   Amplitude  |
 |  Index  |   a   b   i   j |      NAI      NBJ |     NAIBJ    |              |
 +=============================================================================+
 | 1   2   |   1       1     |       22          |              |   -0.805247  |
 | 5   6   |   2       1     |       53          |              |   -0.533808  |
 +-----------------------------------------------------------------------------+
 | 2 5 1 5 |   3   6   3   2 |       17       73 | (-)     4913 |   -0.081086  |
 | 6 5 5 5 |   7   5   1   2 |       44       72 | (-)     4872 |   -0.135986  |
 | 6 5 1 1 |   6   3   1   3 |        6       31 | (-)    11430 |   -0.081390  |
 | 1 5 6 1 |   7   2   1   3 |       59       30 | (-)    11415 |    0.059805  |
 | 1 1 6 5 |   5   5   1   2 |       57       74 | (-)    14405 |    0.080187  |
 +=============================================================================+


          Norm of Printed Amplitude Vector :             0.9875


          Printed all single excitations greater than  0.194234


          Printed all double excitations greater than  0.047680
 Vector nr. 10 of symmetry  2 found on file - RESTART SUCCESS
 Start vector is a CC3       RE  vector
 Vector nr. 11 of symmetry  2 found on file - RESTART SUCCESS
 Start vector is a CC3       RE  vector
 Vector nr. 12 of symmetry  2 found on file - RESTART SUCCESS
 Start vector is a CC3       RE  vector


 CC3        excitation energies with Omega=   0.886788
 =====================================================
 (conversion factor used: 1 au = 27.2113957 eV)

 Excitation no.       Hartree               eV
 --------------       -------               --

         1            0.033977            0.924561
         2            0.416877           11.343802
         3            0.886843           24.132227

 Converged root to diff. -0.000055  for root   3 in   2 iterations



 Total excited state energies for states of symmetry/spin   2  3
 Excitation no.       Energy (Hartree) 
 ------------------------------------- 
@@@    2    3          -198.418669557828935


 Analysis of the Coupled Cluster Excitation Vector Number :  1
 -------------------------------------------------------------

          Excitation Energy :                             0.9246 eV


     CC_PRAM:Overall Contribution of the Different Components
     --------------------------------------------------------



     Single Excitation Contribution      :         95.0174 %

     Double Excitation Contribution (+/-):          0.1359 %    /    4.8467 % 

     ||T1||/||T2||                       :          4.3669

     Norm of Total Amplitude Vector :          1.0000


 +=============================================================================+
 | symmetry|  orbital index  |   Excitation Numbers             |   Amplitude  |
 |  Index  |   a   b   i   j |      NAI      NBJ |     NAIBJ    |              |
 +=============================================================================+
 | 5   6   |   1       1     |       52          |              |    0.968729  |
 +-----------------------------------------------------------------------------+
 | 6 5 1 1 |   5   3   1   3 |        5       31 | (-)    11429 |   -0.202513  |
 +=============================================================================+


          Norm of Printed Amplitude Vector :             0.9897


          Printed all single excitations greater than  0.194954


          Printed all double excitations greater than  0.044644


 Analysis of the Coupled Cluster Excitation Vector Number :  2
 -------------------------------------------------------------

          Excitation Energy :                            11.3438 eV


     CC_PRAM:Overall Contribution of the Different Components
     --------------------------------------------------------



     Single Excitation Contribution      :         36.3511 %

     Double Excitation Contribution (+/-):          2.0187 %    /   61.6302 % 

     ||T1||/||T2||                       :          0.7557

     Norm of Total Amplitude Vector :          1.0000


 +=============================================================================+
 | symmetry|  orbital index  |   Excitation Numbers             |   Amplitude  |
 |  Index  |   a   b   i   j |      NAI      NBJ |     NAIBJ    |              |
 +=============================================================================+
 | 1   2   |   2       1     |       23          |              |   -0.158491  |
 | 5   6   |   1       1     |       52          |              |    0.568921  |
 +-----------------------------------------------------------------------------+
 | 6 5 1 1 |   5   3   1   3 |        5       31 | (-)    11429 |    0.760915  |
 +=============================================================================+


          Norm of Printed Amplitude Vector :             0.9632


          Printed all single excitations greater than  0.120584


          Printed all double excitations greater than  0.159561


 Analysis of the Coupled Cluster Excitation Vector Number :  3
 -------------------------------------------------------------

          Excitation Energy :                            24.1322 eV


     CC_PRAM:Overall Contribution of the Different Components
     --------------------------------------------------------



     Single Excitation Contribution      :         94.3397 %

     Double Excitation Contribution (+/-):          0.3346 %    /    5.3257 % 

     ||T1||/||T2||                       :          4.0825

     Norm of Total Amplitude Vector :          1.0000


 +=============================================================================+
 | symmetry|  orbital index  |   Excitation Numbers             |   Amplitude  |
 |  Index  |   a   b   i   j |      NAI      NBJ |     NAIBJ    |              |
 +=============================================================================+
 | 1   2   |   1       1     |       22          |              |   -0.805371  |
 | 5   6   |   2       1     |       53          |              |   -0.533833  |
 +-----------------------------------------------------------------------------+
 | 2 5 1 5 |   3   6   3   2 |       17       73 | (-)     4913 |   -0.080763  |
 | 6 5 5 5 |   7   5   1   2 |       44       72 | (-)     4872 |   -0.135615  |
 | 6 5 1 1 |   6   3   1   3 |        6       31 | (-)    11430 |   -0.081228  |
 | 1 5 6 1 |   7   2   1   3 |       59       30 | (-)    11415 |    0.059661  |
 | 1 1 6 5 |   5   5   1   2 |       57       74 | (-)    14405 |    0.080092  |
 +=============================================================================+


          Norm of Printed Amplitude Vector :             0.9875


          Printed all single excitations greater than  0.194257


          Printed all double excitations greater than  0.047583
 Vector nr. 10 of symmetry  2 found on file - RESTART SUCCESS
 Start vector is a CC3       RE  vector
 Vector nr. 11 of symmetry  2 found on file - RESTART SUCCESS
 Start vector is a CC3       RE  vector


 CC3        excitation energies with Omega=   0.416877
 =====================================================
 (conversion factor used: 1 au = 27.2113957 eV)

 Excitation no.       Hartree               eV
 --------------       -------               --

         1            0.036146            0.983571
         2            0.433500           11.796122
 Vector nr. 10 of symmetry  2 found on file - RESTART SUCCESS
 Start vector is a CC3       RE  vector
 Vector nr. 11 of symmetry  2 found on file - RESTART SUCCESS
 Start vector is a CC3       RE  vector


 CC3        excitation energies with Omega=   0.433500
 =====================================================
 (conversion factor used: 1 au = 27.2113957 eV)

 Excitation no.       Hartree               eV
 --------------       -------               --

         1            0.036078            0.981723
         2            0.432990           11.782253
 Vector nr. 10 of symmetry  2 found on file - RESTART SUCCESS
 Start vector is a CC3       RE  vector
 Vector nr. 11 of symmetry  2 found on file - RESTART SUCCESS
 Start vector is a CC3       RE  vector


 CC3        excitation energies with Omega=   0.432990
 =====================================================
 (conversion factor used: 1 au = 27.2113957 eV)

 Excitation no.       Hartree               eV
 --------------       -------               --

         1            0.036079            0.981757
         2            0.433005           11.782660

 Converged root to diff. -0.000015  for root   2 in   4 iterations



 Total excited state energies for states of symmetry/spin   2  3
 Excitation no.       Energy (Hartree) 
 ------------------------------------- 
@@@    2    2          -198.872507807277856


 Analysis of the Coupled Cluster Excitation Vector Number :  1
 -------------------------------------------------------------

          Excitation Energy :                             0.9818 eV


     CC_PRAM:Overall Contribution of the Different Components
     --------------------------------------------------------



     Single Excitation Contribution      :         95.2797 %

     Double Excitation Contribution (+/-):          0.1361 %    /    4.5841 % 

     ||T1||/||T2||                       :          4.4928

     Norm of Total Amplitude Vector :          1.0000


 +=============================================================================+
 | symmetry|  orbital index  |   Excitation Numbers             |   Amplitude  |
 |  Index  |   a   b   i   j |      NAI      NBJ |     NAIBJ    |              |
 +=============================================================================+
 | 5   6   |   1       1     |       52          |              |    0.970090  |
 +-----------------------------------------------------------------------------+
 | 6 5 1 1 |   5   3   1   3 |        5       31 | (-)    11429 |   -0.196296  |
 +=============================================================================+


          Norm of Printed Amplitude Vector :             0.9898


          Printed all single excitations greater than  0.195223


          Printed all double excitations greater than  0.043452


 Analysis of the Coupled Cluster Excitation Vector Number :  2
 -------------------------------------------------------------

          Excitation Energy :                            11.7827 eV


     CC_PRAM:Overall Contribution of the Different Components
     --------------------------------------------------------



     Single Excitation Contribution      :         35.8336 %

     Double Excitation Contribution (+/-):          2.0489 %    /   62.1175 % 

     ||T1||/||T2||                       :          0.7473

     Norm of Total Amplitude Vector :          1.0000


 +=============================================================================+
 | symmetry|  orbital index  |   Excitation Numbers             |   Amplitude  |
 |  Index  |   a   b   i   j |      NAI      NBJ |     NAIBJ    |              |
 +=============================================================================+
 | 1   2   |   2       1     |       23          |              |   -0.164403  |
 | 5   6   |   1       1     |       52          |              |    0.561769  |
 +-----------------------------------------------------------------------------+
 | 6 5 1 1 |   5   3   1   3 |        5       31 | (-)    11429 |    0.762545  |
 +=============================================================================+


          Norm of Printed Amplitude Vector :             0.9613


          Printed all single excitations greater than  0.119722


          Printed all double excitations greater than  0.160208
 Vector nr. 10 of symmetry  2 found on file - RESTART SUCCESS
 Start vector is a CC3       RE  vector


 CC3        excitation energies with Omega=   0.036079
 =====================================================
 (conversion factor used: 1 au = 27.2113957 eV)

 Excitation no.       Hartree               eV
 --------------       -------               --

         1            0.037648            1.024460
 Vector nr. 10 of symmetry  2 found on file - RESTART SUCCESS
 Start vector is a CC3       RE  vector


 CC3        excitation energies with Omega=   0.037648
 =====================================================
 (conversion factor used: 1 au = 27.2113957 eV)

 Excitation no.       Hartree               eV
 --------------       -------               --

         1            0.037647            1.024439

 Converged root to diff.  0.000001  for root   1 in   3 iterations



 Total excited state energies for states of symmetry/spin   2  3
 Excitation no.       Energy (Hartree) 
 ------------------------------------- 
@@@    2    1          -199.267865177376081


 Analysis of the Coupled Cluster Excitation Vector Number :  1
 -------------------------------------------------------------

          Excitation Energy :                             1.0244 eV


     CC_PRAM:Overall Contribution of the Different Components
     --------------------------------------------------------



     Single Excitation Contribution      :         95.4477 %

     Double Excitation Contribution (+/-):          0.1363 %    /    4.4160 % 

     ||T1||/||T2||                       :          4.5790

     Norm of Total Amplitude Vector :          1.0000


 +=============================================================================+
 | symmetry|  orbital index  |   Excitation Numbers             |   Amplitude  |
 |  Index  |   a   b   i   j |      NAI      NBJ |     NAIBJ    |              |
 +=============================================================================+
 | 5   6   |   1       1     |       52          |              |    0.970960  |
 +-----------------------------------------------------------------------------+
 | 6 5 1 1 |   5   3   1   3 |        5       31 | (-)    11429 |   -0.192212  |
 +=============================================================================+


          Norm of Printed Amplitude Vector :             0.9898


          Printed all single excitations greater than  0.195395


          Printed all double excitations greater than  0.042672


 *******************************************************************************

 --------------------------
 Symmetry class Nr.:     3
 Multiplicity      :     1
 --------------------------

 Length of Excitation vectors in this class is:     18904
 Converging for  3 roots.
 Vector nr. 13 of symmetry  3 found on file - RESTART SUCCESS
 Start vector is a CCSD      RE  vector
 Vector nr. 14 of symmetry  3 found on file - RESTART SUCCESS
 Start vector is a CCSD      RE  vector
 Vector nr. 15 of symmetry  3 found on file - RESTART SUCCESS
 Start vector is a CCSD      RE  vector


 SYMMETRY CLASS NR.    3
 MULTIPLICITY          1


 CC3        excitation energies with Omega=   0.944526
 =====================================================
 (conversion factor used: 1 au = 27.2113957 eV)

 Excitation no.       Hartree               eV 
 --------------       -------               --
         1            0.0540636626        1.4711470935
         2            0.4957346549       13.4896261616
         3            0.9326518691       25.3787483436


 Total excited state energies for states of symmetry/spin    3    1
 Excitation no.       Energy (Hartree) 
 ------------------------------------- 
@@    3    1          -199.251448952206914
@@    3    2          -198.809777959824032
@@    3    3          -198.372860745682402


 Analysis of the Coupled Cluster Excitation Vector Number :  1
 -------------------------------------------------------------

          Excitation Energy :                             1.4711 eV


          CC_PRAM:Overall Contribution of the Different Components
          --------------------------------------------------------



          Single Excitation Contribution :              76.9887 %

          Double Excitation Contribution :              23.0113 %

          ||T1||/||T2||                  :               1.8291

          Norm of Total Amplitude Vector :               1.0000


 +=============================================================================+
 | symmetry|  orbital index  |   Excitation Numbers             |   Amplitude  |
 |  Index  |   a   b   i   j |      NAI      NBJ |     NAIBJ    |              |
 +=============================================================================+
 | 5   7   |   1       1     |       55          |              |    0.873556  |
 +-----------------------------------------------------------------------------+
 | 7 5 1 1 |   7   7   3   3 |       21       35 |        11717 |    0.454173  |
 +=============================================================================+


          Norm of Printed Amplitude Vector :             0.9846

          Printed all single excitations greater than 0.175486

          Printed all double excitations greater than 0.095940


 Analysis of the Coupled Cluster Excitation Vector Number :  2
 -------------------------------------------------------------

          Excitation Energy :                            13.4896 eV


          CC_PRAM:Overall Contribution of the Different Components
          --------------------------------------------------------



          Single Excitation Contribution :              19.0323 %

          Double Excitation Contribution :              80.9677 %

          ||T1||/||T2||                  :               0.4848

          Norm of Total Amplitude Vector :               1.0000


 +=============================================================================+
 | symmetry|  orbital index  |   Excitation Numbers             |   Amplitude  |
 |  Index  |   a   b   i   j |      NAI      NBJ |     NAIBJ    |              |
 +=============================================================================+
 | 1   3   |   2       1     |       26          |              |   -0.092580  |
 | 5   7   |   1       1     |       55          |              |    0.420053  |
 +-----------------------------------------------------------------------------+
 | 7 5 1 1 |   7   7   3   3 |       21       35 |        11717 |   -0.867042  |
 +=============================================================================+


          Norm of Printed Amplitude Vector :             0.9679

          Printed all single excitations greater than 0.087252

          Printed all double excitations greater than 0.179964


 Analysis of the Coupled Cluster Excitation Vector Number :  3
 -------------------------------------------------------------

          Excitation Energy :                            25.3787 eV


          CC_PRAM:Overall Contribution of the Different Components
          --------------------------------------------------------



          Single Excitation Contribution :              67.8482 %

          Double Excitation Contribution :              32.1518 %

          ||T1||/||T2||                  :               1.4527

          Norm of Total Amplitude Vector :               1.0000


 +=============================================================================+
 | symmetry|  orbital index  |   Excitation Numbers             |   Amplitude  |
 |  Index  |   a   b   i   j |      NAI      NBJ |     NAIBJ    |              |
 +=============================================================================+
 | 1   3   |   1       1     |       25          |              |    0.781546  |
 | 5   7   |   2       1     |       56          |              |    0.247361  |
 +-----------------------------------------------------------------------------+
 | 1 5 3 5 |   6  10   1   2 |       30       77 |         5198 |   -0.348018  |
 | 5 5 7 5 |   3   9   1   2 |       57       76 |         5157 |    0.145336  |
 | 7 5 1 1 |   7   7   1   3 |        7       35 |        11703 |    0.290751  |
 | 7 1 1 5 |   5  10   1   2 |        5       79 |        14693 |    0.226090  |
 +=============================================================================+


          Norm of Printed Amplitude Vector :             0.9746

          Printed all single excitations greater than 0.164740

          Printed all double excitations greater than 0.113405
 Vector nr. 13 of symmetry  3 found on file - RESTART SUCCESS
 Start vector is a CC3       RE  vector
 Vector nr. 14 of symmetry  3 found on file - RESTART SUCCESS
 Start vector is a CC3       RE  vector
 Vector nr. 15 of symmetry  3 found on file - RESTART SUCCESS
 Start vector is a CC3       RE  vector


 CC3        excitation energies with Omega=   0.932652
 =====================================================
 (conversion factor used: 1 au = 27.2113957 eV)

 Excitation no.       Hartree               eV
 --------------       -------               --

         1            0.054148            1.473442
         2            0.496204           13.502390
         3            0.932763           25.381777
 Vector nr. 13 of symmetry  3 found on file - RESTART SUCCESS
 Start vector is a CC3       RE  vector
 Vector nr. 14 of symmetry  3 found on file - RESTART SUCCESS
 Start vector is a CC3       RE  vector
 Vector nr. 15 of symmetry  3 found on file - RESTART SUCCESS
 Start vector is a CC3       RE  vector


 CC3        excitation energies with Omega=   0.932763
 =====================================================
 (conversion factor used: 1 au = 27.2113957 eV)

 Excitation no.       Hartree               eV
 --------------       -------               --

         1            0.054147            1.473420
         2            0.496199           13.502267
         3            0.932763           25.381759

 Converged root to diff.  0.000001  for root   3 in   3 iterations



 Total excited state energies for states of symmetry/spin   3  1
 Excitation no.       Energy (Hartree) 
 ------------------------------------- 
@@@    3    3          -198.372750113570731


 Analysis of the Coupled Cluster Excitation Vector Number :  1
 -------------------------------------------------------------

          Excitation Energy :                             1.4734 eV


          CC_PRAM:Overall Contribution of the Different Components
          --------------------------------------------------------



          Single Excitation Contribution :              77.0202 %

          Double Excitation Contribution :              22.9798 %

          ||T1||/||T2||                  :               1.8308

          Norm of Total Amplitude Vector :               1.0000


 +=============================================================================+
 | symmetry|  orbital index  |   Excitation Numbers             |   Amplitude  |
 |  Index  |   a   b   i   j |      NAI      NBJ |     NAIBJ    |              |
 +=============================================================================+
 | 5   7   |   1       1     |       55          |              |    0.873736  |
 +-----------------------------------------------------------------------------+
 | 7 5 1 1 |   7   7   3   3 |       21       35 |        11717 |    0.453834  |
 +=============================================================================+


          Norm of Printed Amplitude Vector :             0.9846

          Printed all single excitations greater than 0.175522

          Printed all double excitations greater than 0.095874


 Analysis of the Coupled Cluster Excitation Vector Number :  2
 -------------------------------------------------------------

          Excitation Energy :                            13.5023 eV


          CC_PRAM:Overall Contribution of the Different Components
          --------------------------------------------------------



          Single Excitation Contribution :              19.0189 %

          Double Excitation Contribution :              80.9811 %

          ||T1||/||T2||                  :               0.4846

          Norm of Total Amplitude Vector :               1.0000


 +=============================================================================+
 | symmetry|  orbital index  |   Excitation Numbers             |   Amplitude  |
 |  Index  |   a   b   i   j |      NAI      NBJ |     NAIBJ    |              |
 +=============================================================================+
 | 1   3   |   2       1     |       26          |              |   -0.092662  |
 | 5   7   |   1       1     |       55          |              |    0.419863  |
 +-----------------------------------------------------------------------------+
 | 7 5 1 1 |   7   7   3   3 |       21       35 |        11717 |   -0.867066  |
 +=============================================================================+


          Norm of Printed Amplitude Vector :             0.9678

          Printed all single excitations greater than 0.087221

          Printed all double excitations greater than 0.179979


 Analysis of the Coupled Cluster Excitation Vector Number :  3
 -------------------------------------------------------------

          Excitation Energy :                            25.3818 eV


          CC_PRAM:Overall Contribution of the Different Components
          --------------------------------------------------------



          Single Excitation Contribution :              68.2189 %

          Double Excitation Contribution :              31.7811 %

          ||T1||/||T2||                  :               1.4651

          Norm of Total Amplitude Vector :               1.0000


 +=============================================================================+
 | symmetry|  orbital index  |   Excitation Numbers             |   Amplitude  |
 |  Index  |   a   b   i   j |      NAI      NBJ |     NAIBJ    |              |
 +=============================================================================+
 | 1   3   |   1       1     |       25          |              |    0.783356  |
 | 5   7   |   2       1     |       56          |              |    0.249219  |
 +-----------------------------------------------------------------------------+
 | 1 5 3 5 |   6  10   1   2 |       30       77 |         5198 |   -0.344849  |
 | 5 5 7 5 |   3   9   1   2 |       57       76 |         5157 |    0.145393  |
 | 7 5 1 1 |   7   7   1   3 |        7       35 |        11703 |    0.288299  |
 | 7 1 1 5 |   5  10   1   2 |        5       79 |        14693 |    0.225868  |
 +=============================================================================+


          Norm of Printed Amplitude Vector :             0.9747

          Printed all single excitations greater than 0.165189

          Printed all double excitations greater than 0.112749
 Vector nr. 13 of symmetry  3 found on file - RESTART SUCCESS
 Start vector is a CC3       RE  vector
 Vector nr. 14 of symmetry  3 found on file - RESTART SUCCESS
 Start vector is a CC3       RE  vector


 CC3        excitation energies with Omega=   0.496199
 =====================================================
 (conversion factor used: 1 au = 27.2113957 eV)

 Excitation no.       Hartree               eV
 --------------       -------               --

         1            0.056951            1.549727
         2            0.511036           13.905997
 Vector nr. 13 of symmetry  3 found on file - RESTART SUCCESS
 Start vector is a CC3       RE  vector
 Vector nr. 14 of symmetry  3 found on file - RESTART SUCCESS
 Start vector is a CC3       RE  vector


 CC3        excitation energies with Omega=   0.511036
 =====================================================
 (conversion factor used: 1 au = 27.2113957 eV)

 Excitation no.       Hartree               eV
 --------------       -------               --

         1            0.056864            1.547335
         2            0.510596           13.894030
 Vector nr. 13 of symmetry  3 found on file - RESTART SUCCESS
 Start vector is a CC3       RE  vector
 Vector nr. 14 of symmetry  3 found on file - RESTART SUCCESS
 Start vector is a CC3       RE  vector


 CC3        excitation energies with Omega=   0.510596
 =====================================================
 (conversion factor used: 1 au = 27.2113957 eV)

 Excitation no.       Hartree               eV
 --------------       -------               --

         1            0.056866            1.547404
         2            0.510610           13.894396

 Converged root to diff. -0.000013  for root   2 in   4 iterations



 Total excited state energies for states of symmetry/spin   3  1
 Excitation no.       Energy (Hartree) 
 ------------------------------------- 
@@@    3    2          -198.794902956218550


 Analysis of the Coupled Cluster Excitation Vector Number :  1
 -------------------------------------------------------------

          Excitation Energy :                             1.5474 eV


          CC_PRAM:Overall Contribution of the Different Components
          --------------------------------------------------------



          Single Excitation Contribution :              77.9761 %

          Double Excitation Contribution :              22.0239 %

          ||T1||/||T2||                  :               1.8816

          Norm of Total Amplitude Vector :               1.0000


 +=============================================================================+
 | symmetry|  orbital index  |   Excitation Numbers             |   Amplitude  |
 |  Index  |   a   b   i   j |      NAI      NBJ |     NAIBJ    |              |
 +=============================================================================+
 | 5   7   |   1       1     |       55          |              |    0.879171  |
 +-----------------------------------------------------------------------------+
 | 7 5 1 1 |   7   7   3   3 |       21       35 |        11717 |    0.443462  |
 +=============================================================================+


          Norm of Printed Amplitude Vector :             0.9847

          Printed all single excitations greater than 0.176608

          Printed all double excitations greater than 0.093859


 Analysis of the Coupled Cluster Excitation Vector Number :  2
 -------------------------------------------------------------

          Excitation Energy :                            13.8944 eV


          CC_PRAM:Overall Contribution of the Different Components
          --------------------------------------------------------



          Single Excitation Contribution :              18.5810 %

          Double Excitation Contribution :              81.4190 %

          ||T1||/||T2||                  :               0.4777

          Norm of Total Amplitude Vector :               1.0000


 +=============================================================================+
 | symmetry|  orbital index  |   Excitation Numbers             |   Amplitude  |
 |  Index  |   a   b   i   j |      NAI      NBJ |     NAIBJ    |              |
 +=============================================================================+
 | 1   3   |   2       1     |       26          |              |   -0.095254  |
 | 5   7   |   1       1     |       55          |              |    0.413618  |
 +-----------------------------------------------------------------------------+
 | 7 5 1 1 |   7   7   3   3 |       21       35 |        11717 |   -0.868060  |
 +=============================================================================+


          Norm of Printed Amplitude Vector :             0.9663

          Printed all single excitations greater than 0.086211

          Printed all double excitations greater than 0.180465
 Vector nr. 13 of symmetry  3 found on file - RESTART SUCCESS
 Start vector is a CC3       RE  vector


 CC3        excitation energies with Omega=   0.056866
 =====================================================
 (conversion factor used: 1 au = 27.2113957 eV)

 Excitation no.       Hartree               eV
 --------------       -------               --

         1            0.059305            1.613773
 Vector nr. 13 of symmetry  3 found on file - RESTART SUCCESS
 Start vector is a CC3       RE  vector


 CC3        excitation energies with Omega=   0.059305
 =====================================================
 (conversion factor used: 1 au = 27.2113957 eV)

 Excitation no.       Hartree               eV
 --------------       -------               --

         1            0.059293            1.613453

 Converged root to diff.  0.000012  for root   1 in   3 iterations



 Total excited state energies for states of symmetry/spin   3  1
 Excitation no.       Energy (Hartree) 
 ------------------------------------- 
@@@    3    1          -199.246219289107927


 Analysis of the Coupled Cluster Excitation Vector Number :  1
 -------------------------------------------------------------

          Excitation Energy :                             1.6135 eV


          CC_PRAM:Overall Contribution of the Different Components
          --------------------------------------------------------



          Single Excitation Contribution :              78.7434 %

          Double Excitation Contribution :              21.2566 %

          ||T1||/||T2||                  :               1.9247

          Norm of Total Amplitude Vector :               1.0000


 +=============================================================================+
 | symmetry|  orbital index  |   Excitation Numbers             |   Amplitude  |
 |  Index  |   a   b   i   j |      NAI      NBJ |     NAIBJ    |              |
 +=============================================================================+
 | 5   7   |   1       1     |       55          |              |    0.883508  |
 +-----------------------------------------------------------------------------+
 | 7 5 1 1 |   7   7   3   3 |       21       35 |        11717 |    0.434955  |
 +=============================================================================+


          Norm of Printed Amplitude Vector :             0.9848

          Printed all single excitations greater than 0.177475

          Printed all double excitations greater than 0.092210


 *******************************************************************************

 --------------------------
 Symmetry class Nr.:     3
 Multiplicity      :     3
 --------------------------

 Length of Excitation vectors in this class is:     37740
 Converging for  3 roots.
 Vector nr. 16 of symmetry  3 found on file - RESTART SUCCESS
 Start vector is a CCSD      RE  vector
 Vector nr. 17 of symmetry  3 found on file - RESTART SUCCESS
 Start vector is a CCSD      RE  vector
 Vector nr. 18 of symmetry  3 found on file - RESTART SUCCESS
 Start vector is a CCSD      RE  vector


 SYMMETRY CLASS NR.    3
 MULTIPLICITY          3


 CC3        excitation energies with Omega=   0.897443
 =====================================================
 (conversion factor used: 1 au = 27.2113957 eV)

 Excitation no.       Hartree               eV 
 --------------       -------               --
         1            0.0339229462        0.9230903231
         2            0.4164361938       11.3318052688
         3            0.8867883714       24.1307390881


 Total excited state energies for states of symmetry/spin    3    3
 Excitation no.       Energy (Hartree) 
 ------------------------------------- 
@@    3    1          -199.271589668538240
@@    3    2          -198.889076420945173
@@    3    3          -198.418724243321094


 Analysis of the Coupled Cluster Excitation Vector Number :  1
 -------------------------------------------------------------

          Excitation Energy :                             0.9231 eV


     CC_PRAM:Overall Contribution of the Different Components
     --------------------------------------------------------



     Single Excitation Contribution      :         95.0099 %

     Double Excitation Contribution (+/-):          0.1359 %    /    4.8542 % 

     ||T1||/||T2||                       :          4.3635

     Norm of Total Amplitude Vector :          1.0000


 +=============================================================================+
 | symmetry|  orbital index  |   Excitation Numbers             |   Amplitude  |
 |  Index  |   a   b   i   j |      NAI      NBJ |     NAIBJ    |              |
 +=============================================================================+
 | 5   7   |   1       1     |       55          |              |    0.968690  |
 +-----------------------------------------------------------------------------+
 | 7 5 1 1 |   7   7   3   3 |       21       35 | (-)    11717 |   -0.202689  |
 +=============================================================================+


          Norm of Printed Amplitude Vector :             0.9897


          Printed all single excitations greater than  0.194946


          Printed all double excitations greater than  0.044677


 Analysis of the Coupled Cluster Excitation Vector Number :  2
 -------------------------------------------------------------

          Excitation Energy :                            11.3318 eV


     CC_PRAM:Overall Contribution of the Different Components
     --------------------------------------------------------



     Single Excitation Contribution      :         36.3634 %

     Double Excitation Contribution (+/-):          2.0175 %    /   61.6191 % 

     ||T1||/||T2||                       :          0.7559

     Norm of Total Amplitude Vector :          1.0000


 +=============================================================================+
 | symmetry|  orbital index  |   Excitation Numbers             |   Amplitude  |
 |  Index  |   a   b   i   j |      NAI      NBJ |     NAIBJ    |              |
 +=============================================================================+
 | 1   3   |   2       1     |       26          |              |   -0.158326  |
 | 5   7   |   1       1     |       55          |              |    0.569095  |
 +-----------------------------------------------------------------------------+
 | 7 5 1 1 |   7   7   3   3 |       21       35 | (-)    11717 |    0.760886  |
 +=============================================================================+


          Norm of Printed Amplitude Vector :             0.9633


          Printed all single excitations greater than  0.120604


          Printed all double excitations greater than  0.159545


 Analysis of the Coupled Cluster Excitation Vector Number :  3
 -------------------------------------------------------------

          Excitation Energy :                            24.1307 eV


     CC_PRAM:Overall Contribution of the Different Components
     --------------------------------------------------------



     Single Excitation Contribution      :         94.3167 %

     Double Excitation Contribution (+/-):          0.3351 %    /    5.3482 % 

     ||T1||/||T2||                       :          4.0737

     Norm of Total Amplitude Vector :          1.0000


 +=============================================================================+
 | symmetry|  orbital index  |   Excitation Numbers             |   Amplitude  |
 |  Index  |   a   b   i   j |      NAI      NBJ |     NAIBJ    |              |
 +=============================================================================+
 | 1   3   |   1       1     |       25          |              |   -0.805247  |
 | 5   7   |   2       1     |       56          |              |   -0.533808  |
 +-----------------------------------------------------------------------------+
 | 1 5 3 5 |   6  10   1   2 |       30       77 | (-)     5198 |   -0.081086  |
 | 5 5 7 5 |   3   9   1   2 |       57       76 | (-)     5157 |   -0.135986  |
 | 7 5 1 1 |   7   7   1   3 |        7       35 | (-)    11703 |    0.059805  |
 | 8 5 2 1 |   1   7   1   3 |       22       35 | (-)    11718 |   -0.081390  |
 | 7 1 1 5 |   5  10   1   2 |        5       79 | (-)    14693 |    0.080187  |
 +=============================================================================+


          Norm of Printed Amplitude Vector :             0.9875


          Printed all single excitations greater than  0.194234


          Printed all double excitations greater than  0.047680
 Vector nr. 16 of symmetry  3 found on file - RESTART SUCCESS
 Start vector is a CC3       RE  vector
 Vector nr. 17 of symmetry  3 found on file - RESTART SUCCESS
 Start vector is a CC3       RE  vector
 Vector nr. 18 of symmetry  3 found on file - RESTART SUCCESS
 Start vector is a CC3       RE  vector


 CC3        excitation energies with Omega=   0.886788
 =====================================================
 (conversion factor used: 1 au = 27.2113957 eV)

 Excitation no.       Hartree               eV
 --------------       -------               --

         1            0.033977            0.924561
         2            0.416877           11.343802
         3            0.886843           24.132227

 Converged root to diff. -0.000055  for root   3 in   2 iterations



 Total excited state energies for states of symmetry/spin   3  3
 Excitation no.       Energy (Hartree) 
 ------------------------------------- 
@@@    3    3          -198.418669557828935


 Analysis of the Coupled Cluster Excitation Vector Number :  1
 -------------------------------------------------------------

          Excitation Energy :                             0.9246 eV


     CC_PRAM:Overall Contribution of the Different Components
     --------------------------------------------------------



     Single Excitation Contribution      :         95.0174 %

     Double Excitation Contribution (+/-):          0.1359 %    /    4.8467 % 

     ||T1||/||T2||                       :          4.3669

     Norm of Total Amplitude Vector :          1.0000


 +=============================================================================+
 | symmetry|  orbital index  |   Excitation Numbers             |   Amplitude  |
 |  Index  |   a   b   i   j |      NAI      NBJ |     NAIBJ    |              |
 +=============================================================================+
 | 5   7   |   1       1     |       55          |              |    0.968729  |
 +-----------------------------------------------------------------------------+
 | 7 5 1 1 |   7   7   3   3 |       21       35 | (-)    11717 |   -0.202513  |
 +=============================================================================+


          Norm of Printed Amplitude Vector :             0.9897


          Printed all single excitations greater than  0.194954


          Printed all double excitations greater than  0.044644


 Analysis of the Coupled Cluster Excitation Vector Number :  2
 -------------------------------------------------------------

          Excitation Energy :                            11.3438 eV


     CC_PRAM:Overall Contribution of the Different Components
     --------------------------------------------------------



     Single Excitation Contribution      :         36.3511 %

     Double Excitation Contribution (+/-):          2.0187 %    /   61.6302 % 

     ||T1||/||T2||                       :          0.7557

     Norm of Total Amplitude Vector :          1.0000


 +=============================================================================+
 | symmetry|  orbital index  |   Excitation Numbers             |   Amplitude  |
 |  Index  |   a   b   i   j |      NAI      NBJ |     NAIBJ    |              |
 +=============================================================================+
 | 1   3   |   2       1     |       26          |              |   -0.158491  |
 | 5   7   |   1       1     |       55          |              |    0.568921  |
 +-----------------------------------------------------------------------------+
 | 7 5 1 1 |   7   7   3   3 |       21       35 | (-)    11717 |    0.760915  |
 +=============================================================================+


          Norm of Printed Amplitude Vector :             0.9632


          Printed all single excitations greater than  0.120584


          Printed all double excitations greater than  0.159561


 Analysis of the Coupled Cluster Excitation Vector Number :  3
 -------------------------------------------------------------

          Excitation Energy :                            24.1322 eV


     CC_PRAM:Overall Contribution of the Different Components
     --------------------------------------------------------



     Single Excitation Contribution      :         94.3397 %

     Double Excitation Contribution (+/-):          0.3346 %    /    5.3257 % 

     ||T1||/||T2||                       :          4.0825

     Norm of Total Amplitude Vector :          1.0000


 +=============================================================================+
 | symmetry|  orbital index  |   Excitation Numbers             |   Amplitude  |
 |  Index  |   a   b   i   j |      NAI      NBJ |     NAIBJ    |              |
 +=============================================================================+
 | 1   3   |   1       1     |       25          |              |   -0.805371  |
 | 5   7   |   2       1     |       56          |              |   -0.533833  |
 +-----------------------------------------------------------------------------+
 | 1 5 3 5 |   6  10   1   2 |       30       77 | (-)     5198 |   -0.080763  |
 | 5 5 7 5 |   3   9   1   2 |       57       76 | (-)     5157 |   -0.135615  |
 | 7 5 1 1 |   7   7   1   3 |        7       35 | (-)    11703 |    0.059661  |
 | 8 5 2 1 |   1   7   1   3 |       22       35 | (-)    11718 |   -0.081228  |
 | 7 1 1 5 |   5  10   1   2 |        5       79 | (-)    14693 |    0.080092  |
 +=============================================================================+


          Norm of Printed Amplitude Vector :             0.9875


          Printed all single excitations greater than  0.194257


          Printed all double excitations greater than  0.047583
 Vector nr. 16 of symmetry  3 found on file - RESTART SUCCESS
 Start vector is a CC3       RE  vector
 Vector nr. 17 of symmetry  3 found on file - RESTART SUCCESS
 Start vector is a CC3       RE  vector


 CC3        excitation energies with Omega=   0.416877
 =====================================================
 (conversion factor used: 1 au = 27.2113957 eV)

 Excitation no.       Hartree               eV
 --------------       -------               --

         1            0.036146            0.983571
         2            0.433500           11.796122
 Vector nr. 16 of symmetry  3 found on file - RESTART SUCCESS
 Start vector is a CC3       RE  vector
 Vector nr. 17 of symmetry  3 found on file - RESTART SUCCESS
 Start vector is a CC3       RE  vector


 CC3        excitation energies with Omega=   0.433500
 =====================================================
 (conversion factor used: 1 au = 27.2113957 eV)

 Excitation no.       Hartree               eV
 --------------       -------               --

         1            0.036078            0.981723
         2            0.432990           11.782253
 Vector nr. 16 of symmetry  3 found on file - RESTART SUCCESS
 Start vector is a CC3       RE  vector
 Vector nr. 17 of symmetry  3 found on file - RESTART SUCCESS
 Start vector is a CC3       RE  vector


 CC3        excitation energies with Omega=   0.432990
 =====================================================
 (conversion factor used: 1 au = 27.2113957 eV)

 Excitation no.       Hartree               eV
 --------------       -------               --

         1            0.036079            0.981757
         2            0.433005           11.782660

 Converged root to diff. -0.000015  for root   2 in   4 iterations



 Total excited state energies for states of symmetry/spin   3  3
 Excitation no.       Energy (Hartree) 
 ------------------------------------- 
@@@    3    2          -198.872507807277856


 Analysis of the Coupled Cluster Excitation Vector Number :  1
 -------------------------------------------------------------

          Excitation Energy :                             0.9818 eV


     CC_PRAM:Overall Contribution of the Different Components
     --------------------------------------------------------



     Single Excitation Contribution      :         95.2797 %

     Double Excitation Contribution (+/-):          0.1361 %    /    4.5841 % 

     ||T1||/||T2||                       :          4.4928

     Norm of Total Amplitude Vector :          1.0000


 +=============================================================================+
 | symmetry|  orbital index  |   Excitation Numbers             |   Amplitude  |
 |  Index  |   a   b   i   j |      NAI      NBJ |     NAIBJ    |              |
 +=============================================================================+
 | 5   7   |   1       1     |       55          |              |    0.970090  |
 +-----------------------------------------------------------------------------+
 | 7 5 1 1 |   7   7   3   3 |       21       35 | (-)    11717 |   -0.196296  |
 +=============================================================================+


          Norm of Printed Amplitude Vector :             0.9898


          Printed all single excitations greater than  0.195223


          Printed all double excitations greater than  0.043452


 Analysis of the Coupled Cluster Excitation Vector Number :  2
 -------------------------------------------------------------

          Excitation Energy :                            11.7827 eV


     CC_PRAM:Overall Contribution of the Different Components
     --------------------------------------------------------



     Single Excitation Contribution      :         35.8336 %

     Double Excitation Contribution (+/-):          2.0489 %    /   62.1175 % 

     ||T1||/||T2||                       :          0.7473

     Norm of Total Amplitude Vector :          1.0000


 +=============================================================================+
 | symmetry|  orbital index  |   Excitation Numbers             |   Amplitude  |
 |  Index  |   a   b   i   j |      NAI      NBJ |     NAIBJ    |              |
 +=============================================================================+
 | 1   3   |   2       1     |       26          |              |   -0.164403  |
 | 5   7   |   1       1     |       55          |              |    0.561769  |
 +-----------------------------------------------------------------------------+
 | 7 5 1 1 |   7   7   3   3 |       21       35 | (-)    11717 |    0.762545  |
 +=============================================================================+


          Norm of Printed Amplitude Vector :             0.9613


          Printed all single excitations greater than  0.119722


          Printed all double excitations greater than  0.160208
 Vector nr. 16 of symmetry  3 found on file - RESTART SUCCESS
 Start vector is a CC3       RE  vector


 CC3        excitation energies with Omega=   0.036079
 =====================================================
 (conversion factor used: 1 au = 27.2113957 eV)

 Excitation no.       Hartree               eV
 --------------       -------               --

         1            0.037648            1.024460
 Vector nr. 16 of symmetry  3 found on file - RESTART SUCCESS
 Start vector is a CC3       RE  vector


 CC3        excitation energies with Omega=   0.037648
 =====================================================
 (conversion factor used: 1 au = 27.2113957 eV)

 Excitation no.       Hartree               eV
 --------------       -------               --

         1            0.037647            1.024439

 Converged root to diff.  0.000001  for root   1 in   3 iterations



 Total excited state energies for states of symmetry/spin   3  3
 Excitation no.       Energy (Hartree) 
 ------------------------------------- 
@@@    3    1          -199.267865177376081


 Analysis of the Coupled Cluster Excitation Vector Number :  1
 -------------------------------------------------------------

          Excitation Energy :                             1.0244 eV


     CC_PRAM:Overall Contribution of the Different Components
     --------------------------------------------------------



     Single Excitation Contribution      :         95.4477 %

     Double Excitation Contribution (+/-):          0.1363 %    /    4.4160 % 

     ||T1||/||T2||                       :          4.5790

     Norm of Total Amplitude Vector :          1.0000


 +=============================================================================+
 | symmetry|  orbital index  |   Excitation Numbers             |   Amplitude  |
 |  Index  |   a   b   i   j |      NAI      NBJ |     NAIBJ    |              |
 +=============================================================================+
 | 5   7   |   1       1     |       55          |              |    0.970960  |
 +-----------------------------------------------------------------------------+
 | 7 5 1 1 |   7   7   3   3 |       21       35 | (-)    11717 |   -0.192212  |
 +=============================================================================+


          Norm of Printed Amplitude Vector :             0.9898


          Printed all single excitations greater than  0.195395


          Printed all double excitations greater than  0.042672


 *******************************************************************************

 --------------------------
 Symmetry class Nr.:     4
 Multiplicity      :     1
 --------------------------

 Length of Excitation vectors in this class is:     17504
 Converging for  3 roots.
 Vector nr. 19 of symmetry  4 found on file - RESTART SUCCESS
 Start vector is a CCSD      RE  vector
 Vector nr. 20 of symmetry  4 found on file - RESTART SUCCESS
 Start vector is a CCSD      RE  vector
 Vector nr. 21 of symmetry  4 found on file - RESTART SUCCESS
 Start vector is a CCSD      RE  vector


 SYMMETRY CLASS NR.    4
 MULTIPLICITY          1


 CC3        excitation energies with Omega=   1.045966
 =====================================================
 (conversion factor used: 1 au = 27.2113957 eV)

 Excitation no.       Hartree               eV 
 --------------       -------               --
         1            0.1109563786        3.0192766493
         2            0.4786966721       13.0259990646
         3            0.9865252155       26.8447166723


 Total excited state energies for states of symmetry/spin    4    1
 Excitation no.       Energy (Hartree) 
 ------------------------------------- 
@@    4    1          -199.194556236136179
@@    4    2          -198.826815942656197
@@    4    3          -198.318987399240939


 Analysis of the Coupled Cluster Excitation Vector Number :  1
 -------------------------------------------------------------

          Excitation Energy :                             3.0193 eV


          CC_PRAM:Overall Contribution of the Different Components
          --------------------------------------------------------



          Single Excitation Contribution :               0.0224 %

          Double Excitation Contribution :              99.9776 %

          ||T1||/||T2||                  :               0.0150

          Norm of Total Amplitude Vector :               1.0000


 +=============================================================================+
 | symmetry|  orbital index  |   Excitation Numbers             |   Amplitude  |
 |  Index  |   a   b   i   j |      NAI      NBJ |     NAIBJ    |              |
 +=============================================================================+
 | 2   3   |   1       1     |       17          |              |   -0.006137  |
 | 3   2   |   1       1     |       10          |              |   -0.006137  |
 | 6   7   |   1       1     |       37          |              |    0.007241  |
 | 6   7   |   4       1     |       40          |              |   -0.003177  |
 | 7   6   |   1       1     |       30          |              |    0.007241  |
 | 7   6   |   4       1     |       33          |              |   -0.003177  |
 +-----------------------------------------------------------------------------+
 | 8 5 6 6 |   1   4   1   1 |       52       55 |         3724 |    0.810785  |
 | 8 5 2 2 |   1   4   1   1 |       22       25 |        10363 |   -0.570853  |
 +=============================================================================+


          Norm of Printed Amplitude Vector :             0.9917

          Printed all single excitations greater than 0.002994

          Printed all double excitations greater than 0.199978


 Analysis of the Coupled Cluster Excitation Vector Number :  2
 -------------------------------------------------------------

          Excitation Energy :                            13.0260 eV


          CC_PRAM:Overall Contribution of the Different Components
          --------------------------------------------------------



          Single Excitation Contribution :               0.0427 %

          Double Excitation Contribution :              99.9573 %

          ||T1||/||T2||                  :               0.0207

          Norm of Total Amplitude Vector :               1.0000


 +=============================================================================+
 | symmetry|  orbital index  |   Excitation Numbers             |   Amplitude  |
 |  Index  |   a   b   i   j |      NAI      NBJ |     NAIBJ    |              |
 +=============================================================================+
 | 2   3   |   1       1     |       17          |              |   -0.011336  |
 | 3   2   |   1       1     |       10          |              |   -0.011336  |
 | 6   7   |   1       1     |       37          |              |   -0.007139  |
 | 7   6   |   1       1     |       30          |              |   -0.007139  |
 +-----------------------------------------------------------------------------+
 | 8 5 6 6 |   1   4   1   1 |       52       55 |         3724 |   -0.564609  |
 | 8 5 2 2 |   1   4   1   1 |       22       25 |        10363 |   -0.803108  |
 +=============================================================================+


          Norm of Printed Amplitude Vector :             0.9819

          Printed all single excitations greater than 0.004130

          Printed all double excitations greater than 0.199957


 Analysis of the Coupled Cluster Excitation Vector Number :  3
 -------------------------------------------------------------

          Excitation Energy :                            26.8447 eV


          CC_PRAM:Overall Contribution of the Different Components
          --------------------------------------------------------



          Single Excitation Contribution :               0.1757 %

          Double Excitation Contribution :              99.8243 %

          ||T1||/||T2||                  :               0.0420

          Norm of Total Amplitude Vector :               1.0000


 +=============================================================================+
 | symmetry|  orbital index  |   Excitation Numbers             |   Amplitude  |
 |  Index  |   a   b   i   j |      NAI      NBJ |     NAIBJ    |              |
 +=============================================================================+
 | 2   3   |   1       1     |       17          |              |   -0.027673  |
 | 3   2   |   1       1     |       10          |              |    0.027673  |
 | 6   7   |   1       1     |       37          |              |   -0.009575  |
 | 7   6   |   1       1     |       30          |              |    0.009576  |
 +-----------------------------------------------------------------------------+
 | 8 1 6 2 |   1   4   1   1 |       52       25 |         1684 |   -0.476925  |
 | 4 5 2 6 |   1   4   1   1 |       22       55 |         3694 |    0.476925  |
 | 4 5 6 2 |   1   4   1   1 |       53       25 |        10394 |   -0.500305  |
 | 8 1 2 6 |   1   4   1   1 |       22       56 |        12471 |    0.500305  |
 +=============================================================================+


          Norm of Printed Amplitude Vector :             0.9784

          Printed all single excitations greater than 0.008384

          Printed all double excitations greater than 0.199824
 Vector nr. 19 of symmetry  4 found on file - RESTART SUCCESS
 Start vector is a CC3       RE  vector
 Vector nr. 20 of symmetry  4 found on file - RESTART SUCCESS
 Start vector is a CC3       RE  vector
 Vector nr. 21 of symmetry  4 found on file - RESTART SUCCESS
 Start vector is a CC3       RE  vector


 CC3        excitation energies with Omega=   0.986525
 =====================================================
 (conversion factor used: 1 au = 27.2113957 eV)

 Excitation no.       Hartree               eV
 --------------       -------               --

         1            0.113009            3.075125
         2            0.484639           13.187709
         3            0.988596           26.901076
 Vector nr. 19 of symmetry  4 found on file - RESTART SUCCESS
 Start vector is a CC3       RE  vector
 Vector nr. 20 of symmetry  4 found on file - RESTART SUCCESS
 Start vector is a CC3       RE  vector
 Vector nr. 21 of symmetry  4 found on file - RESTART SUCCESS
 Start vector is a CC3       RE  vector


 CC3        excitation energies with Omega=   0.988596
 =====================================================
 (conversion factor used: 1 au = 27.2113957 eV)

 Excitation no.       Hartree               eV
 --------------       -------               --

         1            0.112938            3.073211
         2            0.484438           13.182227
         3            0.988525           26.899144

 Converged root to diff.  0.000071  for root   3 in   3 iterations



 Total excited state energies for states of symmetry/spin   4  1
 Excitation no.       Energy (Hartree) 
 ------------------------------------- 
@@@    4    3          -198.316987242548635


 Analysis of the Coupled Cluster Excitation Vector Number :  1
 -------------------------------------------------------------

          Excitation Energy :                             3.0732 eV


          CC_PRAM:Overall Contribution of the Different Components
          --------------------------------------------------------



          Single Excitation Contribution :               0.0227 %

          Double Excitation Contribution :              99.9773 %

          ||T1||/||T2||                  :               0.0151

          Norm of Total Amplitude Vector :               1.0000


 +=============================================================================+
 | symmetry|  orbital index  |   Excitation Numbers             |   Amplitude  |
 |  Index  |   a   b   i   j |      NAI      NBJ |     NAIBJ    |              |
 +=============================================================================+
 | 2   3   |   1       1     |       17          |              |   -0.006184  |
 | 3   2   |   1       1     |       10          |              |   -0.006184  |
 | 6   7   |   1       1     |       37          |              |    0.007291  |
 | 6   7   |   4       1     |       40          |              |   -0.003175  |
 | 7   6   |   1       1     |       30          |              |    0.007291  |
 | 7   6   |   4       1     |       33          |              |   -0.003175  |
 +-----------------------------------------------------------------------------+
 | 8 5 6 6 |   1   4   1   1 |       52       55 |         3724 |    0.809720  |
 | 8 5 2 2 |   1   4   1   1 |       22       25 |        10363 |   -0.572317  |
 +=============================================================================+


          Norm of Printed Amplitude Vector :             0.9917

          Printed all single excitations greater than 0.003012

          Printed all double excitations greater than 0.199977


 Analysis of the Coupled Cluster Excitation Vector Number :  2
 -------------------------------------------------------------

          Excitation Energy :                            13.1822 eV


          CC_PRAM:Overall Contribution of the Different Components
          --------------------------------------------------------



          Single Excitation Contribution :               0.0447 %

          Double Excitation Contribution :              99.9553 %

          ||T1||/||T2||                  :               0.0211

          Norm of Total Amplitude Vector :               1.0000


 +=============================================================================+
 | symmetry|  orbital index  |   Excitation Numbers             |   Amplitude  |
 |  Index  |   a   b   i   j |      NAI      NBJ |     NAIBJ    |              |
 +=============================================================================+
 | 2   3   |   1       1     |       17          |              |   -0.011631  |
 | 3   2   |   1       1     |       10          |              |   -0.011631  |
 | 6   7   |   1       1     |       37          |              |   -0.007362  |
 | 7   6   |   1       1     |       30          |              |   -0.007362  |
 +-----------------------------------------------------------------------------+
 | 8 5 6 6 |   1   4   1   1 |       52       55 |         3724 |   -0.565695  |
 | 8 5 2 2 |   1   4   1   1 |       22       25 |        10363 |   -0.801718  |
 +=============================================================================+


          Norm of Printed Amplitude Vector :             0.9814

          Printed all single excitations greater than 0.004229

          Printed all double excitations greater than 0.199955


 Analysis of the Coupled Cluster Excitation Vector Number :  3
 -------------------------------------------------------------

          Excitation Energy :                            26.8991 eV


          CC_PRAM:Overall Contribution of the Different Components
          --------------------------------------------------------



          Single Excitation Contribution :               0.1916 %

          Double Excitation Contribution :              99.8084 %

          ||T1||/||T2||                  :               0.0438

          Norm of Total Amplitude Vector :               1.0000


 +=============================================================================+
 | symmetry|  orbital index  |   Excitation Numbers             |   Amplitude  |
 |  Index  |   a   b   i   j |      NAI      NBJ |     NAIBJ    |              |
 +=============================================================================+
 | 2   3   |   1       1     |       17          |              |   -0.028918  |
 | 3   2   |   1       1     |       10          |              |    0.028918  |
 | 6   7   |   1       1     |       37          |              |   -0.010030  |
 | 7   6   |   1       1     |       30          |              |    0.010030  |
 +-----------------------------------------------------------------------------+
 | 8 1 6 2 |   1   4   1   1 |       52       25 |         1684 |   -0.477298  |
 | 4 5 2 6 |   1   4   1   1 |       22       55 |         3694 |    0.477298  |
 | 4 5 6 2 |   1   4   1   1 |       53       25 |        10394 |   -0.499794  |
 | 8 1 2 6 |   1   4   1   1 |       22       56 |        12471 |    0.499794  |
 +=============================================================================+


          Norm of Printed Amplitude Vector :             0.9783

          Printed all single excitations greater than 0.008754

          Printed all double excitations greater than 0.199808
 Vector nr. 19 of symmetry  4 found on file - RESTART SUCCESS
 Start vector is a CC3       RE  vector
 Vector nr. 20 of symmetry  4 found on file - RESTART SUCCESS
 Start vector is a CC3       RE  vector


 CC3        excitation energies with Omega=   0.484438
 =====================================================
 (conversion factor used: 1 au = 27.2113957 eV)

 Excitation no.       Hartree               eV
 --------------       -------               --

         1            0.128033            3.483947
         2            0.524615           14.275495
 Vector nr. 19 of symmetry  4 found on file - RESTART SUCCESS
 Start vector is a CC3       RE  vector
 Vector nr. 20 of symmetry  4 found on file - RESTART SUCCESS
 Start vector is a CC3       RE  vector


 CC3        excitation energies with Omega=   0.524615
 =====================================================
 (conversion factor used: 1 au = 27.2113957 eV)

 Excitation no.       Hartree               eV
 --------------       -------               --

         1            0.126959            3.454735
         2            0.521946           14.202873
 Vector nr. 19 of symmetry  4 found on file - RESTART SUCCESS
 Start vector is a CC3       RE  vector
 Vector nr. 20 of symmetry  4 found on file - RESTART SUCCESS
 Start vector is a CC3       RE  vector


 CC3        excitation energies with Omega=   0.521946
 =====================================================
 (conversion factor used: 1 au = 27.2113957 eV)

 Excitation no.       Hartree               eV
 --------------       -------               --

         1            0.127031            3.456693
         2            0.522126           14.207763
 Vector nr. 19 of symmetry  4 found on file - RESTART SUCCESS
 Start vector is a CC3       RE  vector
 Vector nr. 20 of symmetry  4 found on file - RESTART SUCCESS
 Start vector is a CC3       RE  vector


 CC3        excitation energies with Omega=   0.522126
 =====================================================
 (conversion factor used: 1 au = 27.2113957 eV)

 Excitation no.       Hartree               eV
 --------------       -------               --

         1            0.127026            3.456561
         2            0.522114           14.207431

 Converged root to diff.  0.000012  for root   2 in   5 iterations



 Total excited state energies for states of symmetry/spin   4  1
 Excitation no.       Energy (Hartree) 
 ------------------------------------- 
@@@    4    2          -198.783399104801759


 Analysis of the Coupled Cluster Excitation Vector Number :  1
 -------------------------------------------------------------

          Excitation Energy :                             3.4566 eV


          CC_PRAM:Overall Contribution of the Different Components
          --------------------------------------------------------



          Single Excitation Contribution :               0.0246 %

          Double Excitation Contribution :              99.9754 %

          ||T1||/||T2||                  :               0.0157

          Norm of Total Amplitude Vector :               1.0000


 +=============================================================================+
 | symmetry|  orbital index  |   Excitation Numbers             |   Amplitude  |
 |  Index  |   a   b   i   j |      NAI      NBJ |     NAIBJ    |              |
 +=============================================================================+
 | 2   3   |   1       1     |       17          |              |   -0.006548  |
 | 3   2   |   1       1     |       10          |              |   -0.006548  |
 | 6   7   |   1       1     |       37          |              |    0.007615  |
 | 6   7   |   4       1     |       40          |              |   -0.003167  |
 | 7   6   |   1       1     |       30          |              |    0.007615  |
 | 7   6   |   4       1     |       33          |              |   -0.003167  |
 +-----------------------------------------------------------------------------+
 | 8 5 6 6 |   1   4   1   1 |       52       55 |         3724 |    0.803413  |
 | 8 5 2 2 |   1   4   1   1 |       22       25 |        10363 |   -0.580834  |
 +=============================================================================+


          Norm of Printed Amplitude Vector :             0.9915

          Printed all single excitations greater than 0.003136

          Printed all double excitations greater than 0.199975


 Analysis of the Coupled Cluster Excitation Vector Number :  2
 -------------------------------------------------------------

          Excitation Energy :                            14.2074 eV


          CC_PRAM:Overall Contribution of the Different Components
          --------------------------------------------------------



          Single Excitation Contribution :               0.0594 %

          Double Excitation Contribution :              99.9406 %

          ||T1||/||T2||                  :               0.0244

          Norm of Total Amplitude Vector :               1.0000


 +=============================================================================+
 | symmetry|  orbital index  |   Excitation Numbers             |   Amplitude  |
 |  Index  |   a   b   i   j |      NAI      NBJ |     NAIBJ    |              |
 +=============================================================================+
 | 2   3   |   1       1     |       17          |              |   -0.013542  |
 | 3   2   |   1       1     |       10          |              |   -0.013542  |
 | 6   7   |   1       1     |       37          |              |   -0.008809  |
 | 7   6   |   1       1     |       30          |              |   -0.008809  |
 +-----------------------------------------------------------------------------+
 | 8 5 6 6 |   1   4   1   1 |       52       55 |         3724 |   -0.571676  |
 | 8 5 2 2 |   1   4   1   1 |       22       25 |        10363 |   -0.793232  |
 +=============================================================================+


          Norm of Printed Amplitude Vector :             0.9780

          Printed all single excitations greater than 0.004875

          Printed all double excitations greater than 0.199941
 Vector nr. 19 of symmetry  4 found on file - RESTART SUCCESS
 Start vector is a CC3       RE  vector


 CC3        excitation energies with Omega=   0.127026
 =====================================================
 (conversion factor used: 1 au = 27.2113957 eV)

 Excitation no.       Hartree               eV
 --------------       -------               --

         1            0.136814            3.722891
 Vector nr. 19 of symmetry  4 found on file - RESTART SUCCESS
 Start vector is a CC3       RE  vector


 CC3        excitation energies with Omega=   0.136814
 =====================================================
 (conversion factor used: 1 au = 27.2113957 eV)

 Excitation no.       Hartree               eV
 --------------       -------               --

         1            0.136590            3.716801
 Vector nr. 19 of symmetry  4 found on file - RESTART SUCCESS
 Start vector is a CC3       RE  vector


 CC3        excitation energies with Omega=   0.136590
 =====================================================
 (conversion factor used: 1 au = 27.2113957 eV)

 Excitation no.       Hartree               eV
 --------------       -------               --

         1            0.136595            3.716941

 Converged root to diff. -0.000005  for root   1 in   4 iterations



 Total excited state energies for states of symmetry/spin   4  1
 Excitation no.       Energy (Hartree) 
 ------------------------------------- 
@@@    4    1          -199.168917546308649


 Analysis of the Coupled Cluster Excitation Vector Number :  1
 -------------------------------------------------------------

          Excitation Energy :                             3.7169 eV


          CC_PRAM:Overall Contribution of the Different Components
          --------------------------------------------------------



          Single Excitation Contribution :               0.0258 %

          Double Excitation Contribution :              99.9742 %

          ||T1||/||T2||                  :               0.0160

          Norm of Total Amplitude Vector :               1.0000


 +=============================================================================+
 | symmetry|  orbital index  |   Excitation Numbers             |   Amplitude  |
 |  Index  |   a   b   i   j |      NAI      NBJ |     NAIBJ    |              |
 +=============================================================================+
 | 2   3   |   1       1     |       17          |              |   -0.006760  |
 | 3   2   |   1       1     |       10          |              |   -0.006760  |
 | 6   7   |   1       1     |       37          |              |    0.007809  |
 | 7   6   |   1       1     |       30          |              |    0.007809  |
 +-----------------------------------------------------------------------------+
 | 8 5 6 6 |   1   4   1   1 |       52       55 |         3724 |    0.800085  |
 | 8 5 2 2 |   1   4   1   1 |       22       25 |        10363 |   -0.585243  |
 +=============================================================================+


          Norm of Printed Amplitude Vector :             0.9914

          Printed all single excitations greater than 0.003209

          Printed all double excitations greater than 0.199974


 *******************************************************************************

 --------------------------
 Symmetry class Nr.:     4
 Multiplicity      :     3
 --------------------------

 Length of Excitation vectors in this class is:     34965
 Converging for  3 roots.
 Vector nr. 22 of symmetry  4 found on file - RESTART SUCCESS
 Start vector is a CCSD      RE  vector
 Vector nr. 23 of symmetry  4 found on file - RESTART SUCCESS
 Start vector is a CCSD      RE  vector
 Vector nr. 24 of symmetry  4 found on file - RESTART SUCCESS
 Start vector is a CCSD      RE  vector


 SYMMETRY CLASS NR.    4
 MULTIPLICITY          3


 CC3        excitation energies with Omega=   1.013593
 =====================================================
 (conversion factor used: 1 au = 27.2113957 eV)

 Excitation no.       Hartree               eV 
 --------------       -------               --
         1            0.1055151361        2.8712129083
         2            0.3932424232       10.7006706661
         3            0.9760978771       26.5609743601


 Total excited state energies for states of symmetry/spin    4    3
 Excitation no.       Energy (Hartree) 
 ------------------------------------- 
@@    4    1          -199.199997478663278
@@    4    2          -198.912270191532144
@@    4    3          -198.329414737666269


 Analysis of the Coupled Cluster Excitation Vector Number :  1
 -------------------------------------------------------------

          Excitation Energy :                             2.8712 eV


     CC_PRAM:Overall Contribution of the Different Components
     --------------------------------------------------------



     Single Excitation Contribution      :          0.0866 %

     Double Excitation Contribution (+/-):          0.0632 %    /   99.8502 % 

     ||T1||/||T2||                       :          0.0294

     Norm of Total Amplitude Vector :          1.0000


 +=============================================================================+
 | symmetry|  orbital index  |   Excitation Numbers             |   Amplitude  |
 |  Index  |   a   b   i   j |      NAI      NBJ |     NAIBJ    |              |
 +=============================================================================+
 | 2   3   |   1       1     |       17          |              |    0.011205  |
 | 3   2   |   1       1     |       10          |              |   -0.011205  |
 | 6   7   |   1       1     |       37          |              |   -0.014785  |
 | 6   7   |   4       1     |       40          |              |    0.006599  |
 | 7   6   |   1       1     |       30          |              |    0.014785  |
 | 7   6   |   4       1     |       33          |              |   -0.006599  |
 +-----------------------------------------------------------------------------+
 | 8 5 6 6 |   1   4   1   1 |       52       55 | (-)     3724 |    0.846160  |
 | 8 5 2 2 |   1   4   1   1 |       22       25 | (-)    10363 |   -0.515352  |
 +=============================================================================+


          Norm of Printed Amplitude Vector :             0.9911


          Printed all single excitations greater than  0.005887


          Printed all double excitations greater than  0.199913


 Analysis of the Coupled Cluster Excitation Vector Number :  2
 -------------------------------------------------------------

          Excitation Energy :                            10.7007 eV


     CC_PRAM:Overall Contribution of the Different Components
     --------------------------------------------------------



     Single Excitation Contribution      :          0.1356 %

     Double Excitation Contribution (+/-):          0.0824 %    /   99.7820 % 

     ||T1||/||T2||                       :          0.0368

     Norm of Total Amplitude Vector :          1.0000


 +=============================================================================+
 | symmetry|  orbital index  |   Excitation Numbers             |   Amplitude  |
 |  Index  |   a   b   i   j |      NAI      NBJ |     NAIBJ    |              |
 +=============================================================================+
 | 2   3   |   1       1     |       17          |              |    0.020838  |
 | 3   2   |   1       1     |       10          |              |   -0.020838  |
 | 6   7   |   1       1     |       37          |              |    0.010931  |
 | 7   6   |   1       1     |       30          |              |   -0.010931  |
 +-----------------------------------------------------------------------------+
 | 8 5 6 6 |   1   4   1   1 |       52       55 | (-)     3724 |   -0.508801  |
 | 8 5 2 2 |   1   4   1   1 |       22       25 | (-)    10363 |   -0.839434  |
 +=============================================================================+


          Norm of Printed Amplitude Vector :             0.9822


          Printed all single excitations greater than  0.007365


          Printed all double excitations greater than  0.199864


 Analysis of the Coupled Cluster Excitation Vector Number :  3
 -------------------------------------------------------------

          Excitation Energy :                            26.5610 eV


     CC_PRAM:Overall Contribution of the Different Components
     --------------------------------------------------------



     Single Excitation Contribution      :          0.0638 %

     Double Excitation Contribution (+/-):         34.5876 %    /   65.3486 % 

     ||T1||/||T2||                       :          0.0253

     Norm of Total Amplitude Vector :          1.0000


 +=============================================================================+
 | symmetry|  orbital index  |   Excitation Numbers             |   Amplitude  |
 |  Index  |   a   b   i   j |      NAI      NBJ |     NAIBJ    |              |
 +=============================================================================+
 | 2   3   |   1       1     |       17          |              |   -0.015256  |
 | 2   3   |   2       1     |       18          |              |    0.007133  |
 | 3   2   |   1       1     |       10          |              |   -0.015253  |
 | 3   2   |   2       1     |       11          |              |    0.007133  |
 +-----------------------------------------------------------------------------+
 | 8 1 6 2 |   1   4   1   1 |       52       25 | (+)     1684 |   -0.409263  |
 | 8 1 6 2 |   1   4   1   1 |       52       25 | (-)     1684 |   -0.362169  |
 | 4 5 2 6 |   1   4   1   1 |       22       55 | (+)     3694 |   -0.409263  |
 | 4 5 2 6 |   1   4   1   1 |       22       55 | (-)     3694 |    0.362181  |
 | 4 5 6 2 |   1   4   1   1 |       53       25 | (-)    10394 |   -0.393371  |
 | 8 1 2 6 |   1   4   1   1 |       22       56 | (-)    12471 |    0.393358  |
 +=============================================================================+


          Norm of Printed Amplitude Vector :             0.9526


          Printed all single excitations greater than  0.005050


          Printed all double excitations greater than  0.199936
 Vector nr. 22 of symmetry  4 found on file - RESTART SUCCESS
 Start vector is a CC3       RE  vector
 Vector nr. 23 of symmetry  4 found on file - RESTART SUCCESS
 Start vector is a CC3       RE  vector
 Vector nr. 24 of symmetry  4 found on file - RESTART SUCCESS
 Start vector is a CC3       RE  vector


 CC3        excitation energies with Omega=   0.976098
 =====================================================
 (conversion factor used: 1 au = 27.2113957 eV)

 Excitation no.       Hartree               eV
 --------------       -------               --

         1            0.106898            2.908849
         2            0.397043           10.804093
         3            0.977427           26.597133
 Vector nr. 22 of symmetry  4 found on file - RESTART SUCCESS
 Start vector is a CC3       RE  vector
 Vector nr. 23 of symmetry  4 found on file - RESTART SUCCESS
 Start vector is a CC3       RE  vector
 Vector nr. 24 of symmetry  4 found on file - RESTART SUCCESS
 Start vector is a CC3       RE  vector


 CC3        excitation energies with Omega=   0.977427
 =====================================================
 (conversion factor used: 1 au = 27.2113957 eV)

 Excitation no.       Hartree               eV
 --------------       -------               --

         1            0.106850            2.907531
         2            0.396910           10.800471
         3            0.977380           26.595866

 Converged root to diff.  0.000047  for root   3 in   3 iterations



 Total excited state energies for states of symmetry/spin   4  3
 Excitation no.       Energy (Hartree) 
 ------------------------------------- 
@@@    4    3          -198.328132506757271


 Analysis of the Coupled Cluster Excitation Vector Number :  1
 -------------------------------------------------------------

          Excitation Energy :                             2.9075 eV


     CC_PRAM:Overall Contribution of the Different Components
     --------------------------------------------------------



     Single Excitation Contribution      :          0.0873 %

     Double Excitation Contribution (+/-):          0.0631 %    /   99.8496 % 

     ||T1||/||T2||                       :          0.0296

     Norm of Total Amplitude Vector :          1.0000


 +=============================================================================+
 | symmetry|  orbital index  |   Excitation Numbers             |   Amplitude  |
 |  Index  |   a   b   i   j |      NAI      NBJ |     NAIBJ    |              |
 +=============================================================================+
 | 2   3   |   1       1     |       17          |              |    0.011269  |
 | 3   2   |   1       1     |       10          |              |   -0.011269  |
 | 6   7   |   1       1     |       37          |              |   -0.014854  |
 | 6   7   |   4       1     |       40          |              |    0.006593  |
 | 7   6   |   1       1     |       30          |              |    0.014854  |
 | 7   6   |   4       1     |       33          |              |   -0.006593  |
 +-----------------------------------------------------------------------------+
 | 8 5 6 6 |   1   4   1   1 |       52       55 | (-)     3724 |    0.844962  |
 | 8 5 2 2 |   1   4   1   1 |       22       25 | (-)    10363 |   -0.517276  |
 +=============================================================================+


          Norm of Printed Amplitude Vector :             0.9911


          Printed all single excitations greater than  0.005910


          Printed all double excitations greater than  0.199913


 Analysis of the Coupled Cluster Excitation Vector Number :  2
 -------------------------------------------------------------

          Excitation Energy :                            10.8005 eV


     CC_PRAM:Overall Contribution of the Different Components
     --------------------------------------------------------



     Single Excitation Contribution      :          0.1396 %

     Double Excitation Contribution (+/-):          0.0824 %    /   99.7779 % 

     ||T1||/||T2||                       :          0.0374

     Norm of Total Amplitude Vector :          1.0000


 +=============================================================================+
 | symmetry|  orbital index  |   Excitation Numbers             |   Amplitude  |
 |  Index  |   a   b   i   j |      NAI      NBJ |     NAIBJ    |              |
 +=============================================================================+
 | 2   3   |   1       1     |       17          |              |    0.021161  |
 | 3   2   |   1       1     |       10          |              |   -0.021161  |
 | 6   7   |   1       1     |       37          |              |    0.011198  |
 | 7   6   |   1       1     |       30          |              |   -0.011198  |
 +-----------------------------------------------------------------------------+
 | 8 5 6 6 |   1   4   1   1 |       52       55 | (-)     3724 |   -0.510475  |
 | 8 5 2 2 |   1   4   1   1 |       22       25 | (-)    10363 |   -0.838016  |
 +=============================================================================+


          Norm of Printed Amplitude Vector :             0.9818


          Printed all single excitations greater than  0.007473


          Printed all double excitations greater than  0.199860


 Analysis of the Coupled Cluster Excitation Vector Number :  3
 -------------------------------------------------------------

          Excitation Energy :                            26.5959 eV


     CC_PRAM:Overall Contribution of the Different Components
     --------------------------------------------------------



     Single Excitation Contribution      :          0.0662 %

     Double Excitation Contribution (+/-):         34.5010 %    /   65.4328 % 

     ||T1||/||T2||                       :          0.0257

     Norm of Total Amplitude Vector :          1.0000


 +=============================================================================+
 | symmetry|  orbital index  |   Excitation Numbers             |   Amplitude  |
 |  Index  |   a   b   i   j |      NAI      NBJ |     NAIBJ    |              |
 +=============================================================================+
 | 2   3   |   1       1     |       17          |              |   -0.015641  |
 | 2   3   |   2       1     |       18          |              |    0.007135  |
 | 3   2   |   1       1     |       10          |              |   -0.015640  |
 | 3   2   |   2       1     |       11          |              |    0.007135  |
 +-----------------------------------------------------------------------------+
 | 8 1 6 2 |   1   4   1   1 |       52       25 | (+)     1684 |   -0.408721  |
 | 8 1 6 2 |   1   4   1   1 |       52       25 | (-)     1684 |   -0.362737  |
 | 4 5 2 6 |   1   4   1   1 |       22       55 | (+)     3694 |   -0.408720  |
 | 4 5 2 6 |   1   4   1   1 |       22       55 | (-)     3694 |    0.362757  |
 | 4 5 6 2 |   1   4   1   1 |       53       25 | (-)    10394 |   -0.393562  |
 | 8 1 2 6 |   1   4   1   1 |       22       56 | (-)    12471 |    0.393541  |
 +=============================================================================+


          Norm of Printed Amplitude Vector :             0.9527


          Printed all single excitations greater than  0.005145


          Printed all double excitations greater than  0.199934
 Vector nr. 22 of symmetry  4 found on file - RESTART SUCCESS
 Start vector is a CC3       RE  vector
 Vector nr. 23 of symmetry  4 found on file - RESTART SUCCESS
 Start vector is a CC3       RE  vector


 CC3        excitation energies with Omega=   0.396910
 =====================================================
 (conversion factor used: 1 au = 27.2113957 eV)

 Excitation no.       Hartree               eV
 --------------       -------               --

         1            0.124898            3.398647
         2            0.443088           12.057051
 Vector nr. 22 of symmetry  4 found on file - RESTART SUCCESS
 Start vector is a CC3       RE  vector
 Vector nr. 23 of symmetry  4 found on file - RESTART SUCCESS
 Start vector is a CC3       RE  vector


 CC3        excitation energies with Omega=   0.443088
 =====================================================
 (conversion factor used: 1 au = 27.2113957 eV)

 Excitation no.       Hartree               eV
 --------------       -------               --

         1            0.123651            3.364719
         2            0.440097           11.975635
 Vector nr. 22 of symmetry  4 found on file - RESTART SUCCESS
 Start vector is a CC3       RE  vector
 Vector nr. 23 of symmetry  4 found on file - RESTART SUCCESS
 Start vector is a CC3       RE  vector


 CC3        excitation energies with Omega=   0.440097
 =====================================================
 (conversion factor used: 1 au = 27.2113957 eV)

 Excitation no.       Hartree               eV
 --------------       -------               --

         1            0.123733            3.366936
         2            0.440293           11.980984
 Vector nr. 22 of symmetry  4 found on file - RESTART SUCCESS
 Start vector is a CC3       RE  vector
 Vector nr. 23 of symmetry  4 found on file - RESTART SUCCESS
 Start vector is a CC3       RE  vector


 CC3        excitation energies with Omega=   0.440293
 =====================================================
 (conversion factor used: 1 au = 27.2113957 eV)

 Excitation no.       Hartree               eV
 --------------       -------               --

         1            0.123727            3.366790
         2            0.440280           11.980631

 Converged root to diff.  0.000013  for root   2 in   5 iterations



 Total excited state energies for states of symmetry/spin   4  3
 Excitation no.       Energy (Hartree) 
 ------------------------------------- 
@@@    4    2          -198.865232513471653


 Analysis of the Coupled Cluster Excitation Vector Number :  1
 -------------------------------------------------------------

          Excitation Energy :                             3.3668 eV


     CC_PRAM:Overall Contribution of the Different Components
     --------------------------------------------------------



     Single Excitation Contribution      :          0.0957 %

     Double Excitation Contribution (+/-):          0.0615 %    /   99.8428 % 

     ||T1||/||T2||                       :          0.0310

     Norm of Total Amplitude Vector :          1.0000


 +=============================================================================+
 | symmetry|  orbital index  |   Excitation Numbers             |   Amplitude  |
 |  Index  |   a   b   i   j |      NAI      NBJ |     NAIBJ    |              |
 +=============================================================================+
 | 2   3   |   1       1     |       17          |              |    0.012068  |
 | 3   2   |   1       1     |       10          |              |   -0.012068  |
 | 6   7   |   1       1     |       37          |              |   -0.015608  |
 | 6   7   |   4       1     |       40          |              |    0.006540  |
 | 7   6   |   1       1     |       30          |              |    0.015608  |
 | 7   6   |   4       1     |       33          |              |   -0.006540  |
 +-----------------------------------------------------------------------------+
 | 8 5 6 6 |   1   4   1   1 |       52       55 | (-)     3724 |    0.832453  |
 | 8 5 2 2 |   1   4   1   1 |       22       25 | (-)    10363 |   -0.536747  |
 +=============================================================================+


          Norm of Printed Amplitude Vector :             0.9909


          Printed all single excitations greater than  0.006188


          Printed all double excitations greater than  0.199904


 Analysis of the Coupled Cluster Excitation Vector Number :  2
 -------------------------------------------------------------

          Excitation Energy :                            11.9806 eV


     CC_PRAM:Overall Contribution of the Different Components
     --------------------------------------------------------



     Single Excitation Contribution      :          0.1911 %

     Double Excitation Contribution (+/-):          0.0831 %    /   99.7258 % 

     ||T1||/||T2||                       :          0.0438

     Norm of Total Amplitude Vector :          1.0000


 +=============================================================================+
 | symmetry|  orbital index  |   Excitation Numbers             |   Amplitude  |
 |  Index  |   a   b   i   j |      NAI      NBJ |     NAIBJ    |              |
 +=============================================================================+
 | 2   3   |   1       1     |       17          |              |    0.024879  |
 | 3   2   |   1       1     |       10          |              |   -0.024879  |
 | 6   7   |   1       1     |       37          |              |    0.014253  |
 | 7   6   |   1       1     |       30          |              |   -0.014253  |
 +-----------------------------------------------------------------------------+
 | 8 5 6 6 |   1   4   1   1 |       52       55 | (-)     3724 |   -0.527009  |
 | 8 5 2 2 |   1   4   1   1 |       22       25 | (-)    10363 |   -0.822889  |
 +=============================================================================+


          Norm of Printed Amplitude Vector :             0.9780


          Printed all single excitations greater than  0.008743


          Printed all double excitations greater than  0.199809
 Vector nr. 22 of symmetry  4 found on file - RESTART SUCCESS
 Start vector is a CC3       RE  vector


 CC3        excitation energies with Omega=   0.123727
 =====================================================
 (conversion factor used: 1 au = 27.2113957 eV)

 Excitation no.       Hartree               eV
 --------------       -------               --

         1            0.131771            3.585668
 Vector nr. 22 of symmetry  4 found on file - RESTART SUCCESS
 Start vector is a CC3       RE  vector


 CC3        excitation energies with Omega=   0.131771
 =====================================================
 (conversion factor used: 1 au = 27.2113957 eV)

 Excitation no.       Hartree               eV
 --------------       -------               --

         1            0.131580            3.580461
 Vector nr. 22 of symmetry  4 found on file - RESTART SUCCESS
 Start vector is a CC3       RE  vector


 CC3        excitation energies with Omega=   0.131580
 =====================================================
 (conversion factor used: 1 au = 27.2113957 eV)

 Excitation no.       Hartree               eV
 --------------       -------               --

         1            0.131584            3.580585

 Converged root to diff. -0.000005  for root   1 in   4 iterations



 Total excited state energies for states of symmetry/spin   4  3
 Excitation no.       Energy (Hartree) 
 ------------------------------------- 
@@@    4    1          -199.173928522412865


 Analysis of the Coupled Cluster Excitation Vector Number :  1
 -------------------------------------------------------------

          Excitation Energy :                             3.5806 eV


     CC_PRAM:Overall Contribution of the Different Components
     --------------------------------------------------------



     Single Excitation Contribution      :          0.0993 %

     Double Excitation Contribution (+/-):          0.0609 %    /   99.8398 % 

     ||T1||/||T2||                       :          0.0315

     Norm of Total Amplitude Vector :          1.0000


 +=============================================================================+
 | symmetry|  orbital index  |   Excitation Numbers             |   Amplitude  |
 |  Index  |   a   b   i   j |      NAI      NBJ |     NAIBJ    |              |
 +=============================================================================+
 | 2   3   |   1       1     |       17          |              |    0.012398  |
 | 3   2   |   1       1     |       10          |              |   -0.012398  |
 | 6   7   |   1       1     |       37          |              |   -0.015922  |
 | 6   7   |   4       1     |       40          |              |    0.006524  |
 | 7   6   |   1       1     |       30          |              |    0.015922  |
 | 7   6   |   4       1     |       33          |              |   -0.006524  |
 +-----------------------------------------------------------------------------+
 | 8 5 6 6 |   1   4   1   1 |       52       55 | (-)     3724 |    0.827927  |
 | 8 5 2 2 |   1   4   1   1 |       22       25 | (-)    10363 |   -0.543541  |
 +=============================================================================+


          Norm of Printed Amplitude Vector :             0.9909


          Printed all single excitations greater than  0.006304


          Printed all double excitations greater than  0.199901


 *******************************************************************************

 --------------------------
 Symmetry class Nr.:     5
 Multiplicity      :     1
 --------------------------

 Length of Excitation vectors in this class is:     20313
 Converging for  3 roots.
 Vector nr. 25 of symmetry  5 found on file - RESTART SUCCESS
 Start vector is a CCSD      RE  vector
 Vector nr. 26 of symmetry  5 found on file - RESTART SUCCESS
 Start vector is a CCSD      RE  vector
 Vector nr. 27 of symmetry  5 found on file - RESTART SUCCESS
 Start vector is a CCSD      RE  vector


 SYMMETRY CLASS NR.    5
 MULTIPLICITY          1


 CC3        excitation energies with Omega=   0.938522
 =====================================================
 (conversion factor used: 1 au = 27.2113957 eV)

 Excitation no.       Hartree               eV 
 --------------       -------               --
         1            0.4209855065       11.4555983653
         2            0.5626961119       15.3117400948
         3            0.8981299405       24.4393588816


 Total excited state energies for states of symmetry/spin    5    1
 Excitation no.       Energy (Hartree) 
 ------------------------------------- 
@@    5    1          -198.884527108216901
@@    5    2          -198.742816502841634
@@    5    3          -198.407382674253711


 Analysis of the Coupled Cluster Excitation Vector Number :  1
 -------------------------------------------------------------

          Excitation Energy :                            11.4556 eV


          CC_PRAM:Overall Contribution of the Different Components
          --------------------------------------------------------



          Single Excitation Contribution :              84.5809 %

          Double Excitation Contribution :              15.4191 %

          ||T1||/||T2||                  :               2.3421

          Norm of Total Amplitude Vector :               1.0000


 +=============================================================================+
 | symmetry|  orbital index  |   Excitation Numbers             |   Amplitude  |
 |  Index  |   a   b   i   j |      NAI      NBJ |     NAIBJ    |              |
 +=============================================================================+
 | 5   1   |   1       3     |       29          |              |    0.890605  |
 +-----------------------------------------------------------------------------+
 | 5 1 1 1 |  12   3   3   3 |       40       29 |         2728 |    0.086818  |
 | 3 1 7 1 |   7   2   1   3 |       96       28 |         2688 |    0.078770  |
 | 2 1 5 2 |   7   1   2   1 |       52       22 |        10600 |    0.239349  |
 | 4 1 6 3 |   3   1   1   1 |       55       25 |        15431 |    0.239349  |
 +=============================================================================+


          Norm of Printed Amplitude Vector :             0.9599

          Printed all single excitations greater than 0.183936

          Printed all double excitations greater than 0.078534


 Analysis of the Coupled Cluster Excitation Vector Number :  2
 -------------------------------------------------------------

          Excitation Energy :                            15.3117 eV


          CC_PRAM:Overall Contribution of the Different Components
          --------------------------------------------------------



          Single Excitation Contribution :              12.2049 %

          Double Excitation Contribution :              87.7951 %

          ||T1||/||T2||                  :               0.3728

          Norm of Total Amplitude Vector :               1.0000


 +=============================================================================+
 | symmetry|  orbital index  |   Excitation Numbers             |   Amplitude  |
 |  Index  |   a   b   i   j |      NAI      NBJ |     NAIBJ    |              |
 +=============================================================================+
 | 5   1   |   1       2     |       15          |              |    0.115243  |
 | 5   1   |   1       3     |       29          |              |    0.322079  |
 +-----------------------------------------------------------------------------+
 | 2 1 5 2 |   7   1   2   1 |       52       22 |        10600 |   -0.634916  |
 | 4 1 6 3 |   3   1   1   1 |       55       25 |        15431 |   -0.634916  |
 +=============================================================================+


          Norm of Printed Amplitude Vector :             0.9609

          Printed all single excitations greater than 0.069871

          Printed all double excitations greater than 0.187398


 Analysis of the Coupled Cluster Excitation Vector Number :  3
 -------------------------------------------------------------

          Excitation Energy :                            24.4394 eV


          CC_PRAM:Overall Contribution of the Different Components
          --------------------------------------------------------



          Single Excitation Contribution :              59.6855 %

          Double Excitation Contribution :              40.3145 %

          ||T1||/||T2||                  :               1.2168

          Norm of Total Amplitude Vector :               1.0000


 +=============================================================================+
 | symmetry|  orbital index  |   Excitation Numbers             |   Amplitude  |
 |  Index  |   a   b   i   j |      NAI      NBJ |     NAIBJ    |              |
 +=============================================================================+
 | 5   1   |   1       2     |       15          |              |    0.751067  |
 +-----------------------------------------------------------------------------+
 | 5 1 1 1 |  12   3   3   3 |       40       29 |         2728 |    0.564965  |
 +=============================================================================+


          Norm of Printed Amplitude Vector :             0.9398

          Printed all single excitations greater than 0.154513

          Printed all double excitations greater than 0.126987
 Vector nr. 25 of symmetry  5 found on file - RESTART SUCCESS
 Start vector is a CC3       RE  vector
 Vector nr. 26 of symmetry  5 found on file - RESTART SUCCESS
 Start vector is a CC3       RE  vector
 Vector nr. 27 of symmetry  5 found on file - RESTART SUCCESS
 Start vector is a CC3       RE  vector


 CC3        excitation energies with Omega=   0.898130
 =====================================================
 (conversion factor used: 1 au = 27.2113957 eV)

 Excitation no.       Hartree               eV
 --------------       -------               --

         1            0.422458           11.495658
         2            0.565793           15.396003
         3            0.898703           24.454946
 Vector nr. 25 of symmetry  5 found on file - RESTART SUCCESS
 Start vector is a CC3       RE  vector
 Vector nr. 26 of symmetry  5 found on file - RESTART SUCCESS
 Start vector is a CC3       RE  vector
 Vector nr. 27 of symmetry  5 found on file - RESTART SUCCESS
 Start vector is a CC3       RE  vector


 CC3        excitation energies with Omega=   0.898703
 =====================================================
 (conversion factor used: 1 au = 27.2113957 eV)

 Excitation no.       Hartree               eV
 --------------       -------               --

         1            0.422439           11.495144
         2            0.565749           15.394825
         3            0.898695           24.454735

 Converged root to diff.  0.000008  for root   3 in   3 iterations



 Total excited state energies for states of symmetry/spin   5  1
 Excitation no.       Energy (Hartree) 
 ------------------------------------- 
@@@    5    3          -198.406817629229550


 Analysis of the Coupled Cluster Excitation Vector Number :  1
 -------------------------------------------------------------

          Excitation Energy :                            11.4951 eV


          CC_PRAM:Overall Contribution of the Different Components
          --------------------------------------------------------



          Single Excitation Contribution :              84.8269 %

          Double Excitation Contribution :              15.1731 %

          ||T1||/||T2||                  :               2.3645

          Norm of Total Amplitude Vector :               1.0000


 +=============================================================================+
 | symmetry|  orbital index  |   Excitation Numbers             |   Amplitude  |
 |  Index  |   a   b   i   j |      NAI      NBJ |     NAIBJ    |              |
 +=============================================================================+
 | 5   1   |   1       3     |       29          |              |    0.891533  |
 +-----------------------------------------------------------------------------+
 | 5 1 1 1 |  12   3   3   3 |       40       29 |         2728 |    0.087539  |
 | 3 1 7 1 |   7   2   1   3 |       96       28 |         2688 |    0.079480  |
 | 2 1 5 2 |   7   1   2   1 |       52       22 |        10600 |    0.236432  |
 | 4 1 6 3 |   3   1   1   1 |       55       25 |        15431 |    0.236432  |
 +=============================================================================+


          Norm of Printed Amplitude Vector :             0.9595

          Printed all single excitations greater than 0.184203

          Printed all double excitations greater than 0.077905


 Analysis of the Coupled Cluster Excitation Vector Number :  2
 -------------------------------------------------------------

          Excitation Energy :                            15.3948 eV


          CC_PRAM:Overall Contribution of the Different Components
          --------------------------------------------------------



          Single Excitation Contribution :              11.8838 %

          Double Excitation Contribution :              88.1162 %

          ||T1||/||T2||                  :               0.3672

          Norm of Total Amplitude Vector :               1.0000


 +=============================================================================+
 | symmetry|  orbital index  |   Excitation Numbers             |   Amplitude  |
 |  Index  |   a   b   i   j |      NAI      NBJ |     NAIBJ    |              |
 +=============================================================================+
 | 5   1   |   1       2     |       15          |              |    0.116030  |
 | 5   1   |   1       3     |       29          |              |    0.316921  |
 +-----------------------------------------------------------------------------+
 | 2 1 5 2 |   7   1   2   1 |       52       22 |        10600 |   -0.635965  |
 | 4 1 6 3 |   3   1   1   1 |       55       25 |        15431 |   -0.635965  |
 +=============================================================================+


          Norm of Printed Amplitude Vector :             0.9606

          Printed all single excitations greater than 0.068946

          Printed all double excitations greater than 0.187740


 Analysis of the Coupled Cluster Excitation Vector Number :  3
 -------------------------------------------------------------

          Excitation Energy :                            24.4547 eV


          CC_PRAM:Overall Contribution of the Different Components
          --------------------------------------------------------



          Single Excitation Contribution :              59.8087 %

          Double Excitation Contribution :              40.1913 %

          ||T1||/||T2||                  :               1.2199

          Norm of Total Amplitude Vector :               1.0000


 +=============================================================================+
 | symmetry|  orbital index  |   Excitation Numbers             |   Amplitude  |
 |  Index  |   a   b   i   j |      NAI      NBJ |     NAIBJ    |              |
 +=============================================================================+
 | 5   1   |   1       2     |       15          |              |    0.751553  |
 +-----------------------------------------------------------------------------+
 | 5 1 1 1 |  12   3   3   3 |       40       29 |         2728 |    0.563945  |
 +=============================================================================+


          Norm of Printed Amplitude Vector :             0.9396

          Printed all single excitations greater than 0.154672

          Printed all double excitations greater than 0.126793
 Vector nr. 25 of symmetry  5 found on file - RESTART SUCCESS
 Start vector is a CC3       RE  vector
 Vector nr. 26 of symmetry  5 found on file - RESTART SUCCESS
 Start vector is a CC3       RE  vector


 CC3        excitation energies with Omega=   0.565749
 =====================================================
 (conversion factor used: 1 au = 27.2113957 eV)

 Excitation no.       Hartree               eV
 --------------       -------               --

         1            0.432400           11.766206
         2            0.587860           15.996490
 Vector nr. 25 of symmetry  5 found on file - RESTART SUCCESS
 Start vector is a CC3       RE  vector
 Vector nr. 26 of symmetry  5 found on file - RESTART SUCCESS
 Start vector is a CC3       RE  vector


 CC3        excitation energies with Omega=   0.587860
 =====================================================
 (conversion factor used: 1 au = 27.2113957 eV)

 Excitation no.       Hartree               eV
 --------------       -------               --

         1            0.431838           11.750913
         2            0.586555           15.960966
 Vector nr. 25 of symmetry  5 found on file - RESTART SUCCESS
 Start vector is a CC3       RE  vector
 Vector nr. 26 of symmetry  5 found on file - RESTART SUCCESS
 Start vector is a CC3       RE  vector


 CC3        excitation energies with Omega=   0.586555
 =====================================================
 (conversion factor used: 1 au = 27.2113957 eV)

 Excitation no.       Hartree               eV
 --------------       -------               --

         1            0.431869           11.751751
         2            0.586633           15.963088

 Converged root to diff. -0.000078  for root   2 in   4 iterations



 Total excited state energies for states of symmetry/spin   5  1
 Excitation no.       Energy (Hartree) 
 ------------------------------------- 
@@@    5    2          -198.718879924381554


 Analysis of the Coupled Cluster Excitation Vector Number :  1
 -------------------------------------------------------------

          Excitation Energy :                            11.7518 eV


          CC_PRAM:Overall Contribution of the Different Components
          --------------------------------------------------------



          Single Excitation Contribution :              86.3178 %

          Double Excitation Contribution :              13.6822 %

          ||T1||/||T2||                  :               2.5117

          Norm of Total Amplitude Vector :               1.0000


 +=============================================================================+
 | symmetry|  orbital index  |   Excitation Numbers             |   Amplitude  |
 |  Index  |   a   b   i   j |      NAI      NBJ |     NAIBJ    |              |
 +=============================================================================+
 | 5   1   |   1       3     |       29          |              |    0.896882  |
 +-----------------------------------------------------------------------------+
 | 5 1 1 1 |  12   3   3   3 |       40       29 |         2728 |    0.092048  |
 | 3 1 7 1 |   7   2   1   3 |       96       28 |         2688 |    0.083954  |
 | 2 1 5 2 |   7   1   2   1 |       52       22 |        10600 |    0.217807  |
 | 4 1 6 3 |   3   1   1   1 |       55       25 |        15431 |    0.217807  |
 +=============================================================================+


          Norm of Printed Amplitude Vector :             0.9565

          Printed all single excitations greater than 0.185815

          Printed all double excitations greater than 0.073979


 Analysis of the Coupled Cluster Excitation Vector Number :  2
 -------------------------------------------------------------

          Excitation Energy :                            15.9631 eV


          CC_PRAM:Overall Contribution of the Different Components
          --------------------------------------------------------



          Single Excitation Contribution :               9.9889 %

          Double Excitation Contribution :              90.0111 %

          ||T1||/||T2||                  :               0.3331

          Norm of Total Amplitude Vector :               1.0000


 +=============================================================================+
 | symmetry|  orbital index  |   Excitation Numbers             |   Amplitude  |
 |  Index  |   a   b   i   j |      NAI      NBJ |     NAIBJ    |              |
 +=============================================================================+
 | 5   1   |   1       2     |       15          |              |    0.121616  |
 | 5   1   |   1       3     |       29          |              |    0.284240  |
 +-----------------------------------------------------------------------------+
 | 2 1 5 2 |   7   1   2   1 |       52       22 |        10600 |   -0.641922  |
 | 4 1 6 3 |   3   1   1   1 |       55       25 |        15431 |   -0.641923  |
 +=============================================================================+


          Norm of Printed Amplitude Vector :             0.9590

          Printed all single excitations greater than 0.063211

          Printed all double excitations greater than 0.189748
 Vector nr. 25 of symmetry  5 found on file - RESTART SUCCESS
 Start vector is a CC3       RE  vector


 CC3        excitation energies with Omega=   0.431869
 =====================================================
 (conversion factor used: 1 au = 27.2113957 eV)

 Excitation no.       Hartree               eV
 --------------       -------               --

         1            0.435574           11.852576
 Vector nr. 25 of symmetry  5 found on file - RESTART SUCCESS
 Start vector is a CC3       RE  vector


 CC3        excitation energies with Omega=   0.435574
 =====================================================
 (conversion factor used: 1 au = 27.2113957 eV)

 Excitation no.       Hartree               eV
 --------------       -------               --

         1            0.435491           11.850316

 Converged root to diff.  0.000083  for root   1 in   3 iterations



 Total excited state energies for states of symmetry/spin   5  1
 Excitation no.       Energy (Hartree) 
 ------------------------------------- 
@@@    5    1          -198.870021498149725


 Analysis of the Coupled Cluster Excitation Vector Number :  1
 -------------------------------------------------------------

          Excitation Energy :                            11.8503 eV


          CC_PRAM:Overall Contribution of the Different Components
          --------------------------------------------------------



          Single Excitation Contribution :              86.8483 %

          Double Excitation Contribution :              13.1517 %

          ||T1||/||T2||                  :               2.5697

          Norm of Total Amplitude Vector :               1.0000


 +=============================================================================+
 | symmetry|  orbital index  |   Excitation Numbers             |   Amplitude  |
 |  Index  |   a   b   i   j |      NAI      NBJ |     NAIBJ    |              |
 +=============================================================================+
 | 5   1   |   1       3     |       29          |              |    0.898634  |
 +-----------------------------------------------------------------------------+
 | 5 1 1 1 |  12   3   3   3 |       40       29 |         2728 |    0.093710  |
 | 3 1 7 1 |   7   2   1   3 |       96       28 |         2688 |    0.085663  |
 | 2 1 5 2 |   7   1   2   1 |       52       22 |        10600 |    0.210719  |
 | 4 1 6 3 |   3   1   1   1 |       55       25 |        15431 |    0.210719  |
 +=============================================================================+


          Norm of Printed Amplitude Vector :             0.9552

          Printed all single excitations greater than 0.186385

          Printed all double excitations greater than 0.072531


 *******************************************************************************

 --------------------------
 Symmetry class Nr.:     5
 Multiplicity      :     3
 --------------------------

 Length of Excitation vectors in this class is:     40530
 Converging for  3 roots.
 Vector nr. 28 of symmetry  5 found on file - RESTART SUCCESS
 Start vector is a CCSD      RE  vector
 Vector nr. 29 of symmetry  5 found on file - RESTART SUCCESS
 Start vector is a CCSD      RE  vector
 Vector nr. 30 of symmetry  5 found on file - RESTART SUCCESS
 Start vector is a CCSD      RE  vector


 SYMMETRY CLASS NR.    5
 MULTIPLICITY          3


 CC3        excitation energies with Omega=   0.895919
 =====================================================
 (conversion factor used: 1 au = 27.2113957 eV)

 Excitation no.       Hartree               eV 
 --------------       -------               --
         1            0.0779678818        2.1216139890
         2            0.1263588733        3.4383998501
         3            0.1276796050        3.4743387871


 Total excited state energies for states of symmetry/spin    5    3
 Excitation no.       Energy (Hartree) 
 ------------------------------------- 
@@    5    1          -199.227544732909649
@@    5    2          -199.179153741446015
@@    5    3          -199.177833009770069


 Analysis of the Coupled Cluster Excitation Vector Number :  1
 -------------------------------------------------------------

          Excitation Energy :                             2.1216 eV


     CC_PRAM:Overall Contribution of the Different Components
     --------------------------------------------------------



     Single Excitation Contribution      :         99.4282 %

     Double Excitation Contribution (+/-):          0.1060 %    /    0.4658 % 

     ||T1||/||T2||                       :         13.1870

     Norm of Total Amplitude Vector :          1.0000


 +=============================================================================+
 | symmetry|  orbital index  |   Excitation Numbers             |   Amplitude  |
 |  Index  |   a   b   i   j |      NAI      NBJ |     NAIBJ    |              |
 +=============================================================================+
 | 5   1   |   1       3     |       29          |              |    0.989874  |
 +-----------------------------------------------------------------------------+
 | 2 1 5 2 |   7   1   2   1 |       52       22 | (-)    10600 |   -0.019043  |
 | 4 1 6 3 |   3   1   1   1 |       55       25 | (-)    15431 |   -0.019043  |
 +=============================================================================+


          Norm of Printed Amplitude Vector :             0.9902


          Printed all single excitations greater than  0.199427


          Printed all double excitations greater than  0.015123


 Analysis of the Coupled Cluster Excitation Vector Number :  2
 -------------------------------------------------------------

          Excitation Energy :                             3.4384 eV


     CC_PRAM:Overall Contribution of the Different Components
     --------------------------------------------------------



     Single Excitation Contribution      :          0.0980 %

     Double Excitation Contribution (+/-):          0.0614 %    /   99.8406 % 

     ||T1||/||T2||                       :          0.0313

     Norm of Total Amplitude Vector :          1.0000


 +=============================================================================+
 | symmetry|  orbital index  |   Excitation Numbers             |   Amplitude  |
 |  Index  |   a   b   i   j |      NAI      NBJ |     NAIBJ    |              |
 +=============================================================================+
 | 2   6   |   1       1     |       83          |              |   -0.015858  |
 | 3   7   |   1       1     |       90          |              |    0.015858  |
 | 6   2   |   1       1     |       43          |              |    0.012176  |
 | 7   3   |   1       1     |       50          |              |   -0.012173  |
 +-----------------------------------------------------------------------------+
 | 2 1 5 2 |   7   1   2   1 |       52       22 | (-)    10600 |   -0.700843  |
 | 4 1 6 3 |   3   1   1   1 |       55       25 | (-)    15431 |    0.700876  |
 +=============================================================================+


          Norm of Printed Amplitude Vector :             0.9916


          Printed all single excitations greater than  0.006260


          Printed all double excitations greater than  0.199902


 Analysis of the Coupled Cluster Excitation Vector Number :  3
 -------------------------------------------------------------

          Excitation Energy :                             3.4743 eV


     CC_PRAM:Overall Contribution of the Different Components
     --------------------------------------------------------



     Single Excitation Contribution      :          1.1176 %

     Double Excitation Contribution (+/-):          0.0618 %    /   98.8206 % 

     ||T1||/||T2||                       :          0.1063

     Norm of Total Amplitude Vector :          1.0000


 +=============================================================================+
 | symmetry|  orbital index  |   Excitation Numbers             |   Amplitude  |
 |  Index  |   a   b   i   j |      NAI      NBJ |     NAIBJ    |              |
 +=============================================================================+
 | 5   1   |   1       3     |       29          |              |    0.100260  |
 +-----------------------------------------------------------------------------+
 | 2 1 5 2 |   7   1   2   1 |       52       22 | (-)    10600 |    0.697237  |
 | 4 1 6 3 |   3   1   1   1 |       55       25 | (-)    15431 |    0.697234  |
 +=============================================================================+


          Norm of Printed Amplitude Vector :             0.9911


          Printed all single excitations greater than  0.021144


          Printed all double excitations greater than  0.198879
 Vector nr. 28 of symmetry  5 found on file - RESTART SUCCESS
 Start vector is a CC3       RE  vector
 Vector nr. 29 of symmetry  5 found on file - RESTART SUCCESS
 Start vector is a CC3       RE  vector
 Vector nr. 30 of symmetry  5 found on file - RESTART SUCCESS
 Start vector is a CC3       RE  vector


 CC3        excitation energies with Omega=   0.127680
 =====================================================
 (conversion factor used: 1 au = 27.2113957 eV)

 Excitation no.       Hartree               eV
 --------------       -------               --

         1            0.078932            2.147844
         2            0.146203            3.978388
         3            0.147436            4.011947
 Vector nr. 28 of symmetry  5 found on file - RESTART SUCCESS
 Start vector is a CC3       RE  vector
 Vector nr. 29 of symmetry  5 found on file - RESTART SUCCESS
 Start vector is a CC3       RE  vector
 Vector nr. 30 of symmetry  5 found on file - RESTART SUCCESS
 Start vector is a CC3       RE  vector


 CC3        excitation energies with Omega=   0.147436
 =====================================================
 (conversion factor used: 1 au = 27.2113957 eV)

 Excitation no.       Hartree               eV
 --------------       -------               --

         1            0.078916            2.147405
         2            0.145766            3.966507
         3            0.147001            4.000110
 Vector nr. 28 of symmetry  5 found on file - RESTART SUCCESS
 Start vector is a CC3       RE  vector
 Vector nr. 29 of symmetry  5 found on file - RESTART SUCCESS
 Start vector is a CC3       RE  vector
 Vector nr. 30 of symmetry  5 found on file - RESTART SUCCESS
 Start vector is a CC3       RE  vector


 CC3        excitation energies with Omega=   0.147001
 =====================================================
 (conversion factor used: 1 au = 27.2113957 eV)

 Excitation no.       Hartree               eV
 --------------       -------               --

         1            0.078916            2.147414
         2            0.145776            3.966769
         3            0.147011            4.000370

 Converged root to diff. -0.000010  for root   3 in   4 iterations



 Total excited state energies for states of symmetry/spin   5  3
 Excitation no.       Energy (Hartree) 
 ------------------------------------- 
@@@    5    3          -199.158501701407033


 Analysis of the Coupled Cluster Excitation Vector Number :  1
 -------------------------------------------------------------

          Excitation Energy :                             2.1474 eV


     CC_PRAM:Overall Contribution of the Different Components
     --------------------------------------------------------



     Single Excitation Contribution      :         99.4688 %

     Double Excitation Contribution (+/-):          0.1050 %    /    0.4262 % 

     ||T1||/||T2||                       :         13.6839

     Norm of Total Amplitude Vector :          1.0000


 +=============================================================================+
 | symmetry|  orbital index  |   Excitation Numbers             |   Amplitude  |
 |  Index  |   a   b   i   j |      NAI      NBJ |     NAIBJ    |              |
 +=============================================================================+
 | 5   1   |   1       3     |       29          |              |    0.990021  |
 +-----------------------------------------------------------------------------+
 | 5 1 1 1 |   1   2   1   2 |        1       15 | (-)     1345 |    0.003393  |
 | 5 1 1 1 |  13   2   1   2 |       13       15 | (-)     1357 |    0.009188  |
 | 5 1 1 1 |  14   2   1   2 |       14       15 | (-)     1358 |   -0.007612  |
 | 5 1 1 1 |   1   2   2   2 |       15       15 | (-)     1359 |    0.013732  |
 | 5 1 1 1 |   3   2   2   2 |       17       15 | (-)     1361 |   -0.006185  |
 | 5 1 1 1 |   4   2   2   2 |       18       15 | (-)     1362 |   -0.003262  |
 | 5 1 1 1 |   7   2   2   2 |       21       15 | (-)     1365 |   -0.004666  |
 | 5 1 1 1 |  13   2   2   2 |       27       15 | (-)     1371 |   -0.008160  |
 | 5 1 1 1 |   6   2   3   2 |       34       15 | (-)     1378 |   -0.008160  |
 | 5 1 1 1 |  14   3   1   2 |       14       16 | (-)     1454 |   -0.003398  |
 | 5 1 1 1 |  12   4   1   2 |       12       17 | (-)     1548 |   -0.003472  |
 | 5 1 1 1 |   1   3   1   3 |        1       29 | (-)     2689 |    0.008933  |
 | 5 1 1 1 |  12   3   1   3 |       12       29 | (-)     2700 |   -0.003108  |
 | 5 1 1 1 |   5   3   2   3 |       19       29 | (-)     2707 |   -0.003108  |
 | 5 1 1 1 |  12   3   3   3 |       40       29 | (-)     2728 |    0.007391  |
 | 5 1 1 1 |  13   3   3   3 |       41       29 | (+)     2729 |    0.003571  |
 | 5 1 1 1 |  11   4   1   3 |       11       30 | (-)     2795 |    0.005309  |
 | 5 1 1 1 |   4   4   2   3 |       18       30 | (-)     2802 |    0.005309  |
 | 5 1 1 1 |  11   4   3   3 |       39       30 | (-)     2823 |   -0.007289  |
 | 5 1 1 1 |  12   4   3   3 |       40       30 | (-)     2824 |    0.004599  |
 | 5 1 1 1 |  10   5   1   3 |       10       31 | (-)     2890 |   -0.003632  |
 | 5 1 1 1 |   3   5   2   3 |       17       31 | (-)     2897 |   -0.003632  |
 | 5 1 1 1 |  10   5   3   3 |       38       31 | (-)     2918 |   -0.011474  |
 | 5 1 1 1 |   9   7   1   3 |        9       33 | (-)     3081 |    0.002996  |
 | 5 1 1 1 |   2   7   2   3 |       16       33 | (-)     3088 |    0.002996  |
 | 5 1 1 1 |   8   7   3   3 |       36       33 | (-)     3108 |    0.012348  |
 | 5 1 1 1 |   7   8   3   3 |       35       34 | (-)     3203 |   -0.004327  |
 | 5 1 1 1 |   6   9   1   3 |        6       35 | (-)     3270 |    0.003322  |
 | 5 1 1 1 |  13   9   1   3 |       13       35 | (-)     3277 |    0.003322  |
 | 5 1 1 1 |   2  13   3   3 |       30       39 | (-)     3678 |   -0.003196  |
 | 7 1 3 1 |   5   2   1   2 |       54       15 | (-)     1398 |   -0.003939  |
 | 7 1 3 1 |   6   2   1   2 |       55       15 | (-)     1399 |    0.003462  |
 | 7 1 3 1 |   4   3   1   2 |       53       16 | (-)     1493 |   -0.003420  |
 | 7 1 3 1 |   5   3   1   3 |       54       29 | (-)     2742 |   -0.003959  |
 | 7 1 3 1 |   4   4   1   3 |       53       30 | (+)     2837 |   -0.004229  |
 | 7 1 3 1 |   4   4   1   3 |       53       30 | (-)     2837 |    0.005294  |
 | 7 1 3 1 |   3   5   1   3 |       52       31 | (+)     2932 |    0.003310  |
 | 7 1 3 1 |   3   5   1   3 |       52       31 | (-)     2932 |   -0.003893  |
 | 7 1 3 1 |   2   7   1   3 |       51       33 | (+)     3123 |   -0.003312  |
 | 1 1 5 1 |  13   2   1   2 |       69       15 | (+)     1413 |    0.004144  |
 | 1 1 5 1 |  13   2   1   2 |       69       15 | (-)     1413 |   -0.007663  |
 | 1 1 5 1 |   7   2   2   2 |       76       15 | (+)     1420 |    0.004144  |
 | 1 1 5 1 |   7   2   2   2 |       76       15 | (-)     1420 |   -0.007663  |
 | 1 1 5 1 |   5   3   1   3 |       61       29 | (-)     2749 |   -0.003959  |
 | 1 1 5 1 |  12   3   2   3 |       81       29 | (-)     2769 |    0.003661  |
 | 1 1 5 1 |   4   4   1   3 |       60       30 | (+)     2844 |   -0.004229  |
 | 1 1 5 1 |   4   4   1   3 |       60       30 | (-)     2844 |    0.005294  |
 | 1 1 5 1 |   3   5   1   3 |       59       31 | (+)     2939 |    0.003310  |
 | 1 1 5 1 |   3   5   1   3 |       59       31 | (-)     2939 |   -0.003893  |
 | 1 1 5 1 |   2   7   1   3 |       58       33 | (+)     3130 |   -0.003312  |
 | 2 1 6 1 |   2   2   1   3 |       84       28 | (+)     2676 |    0.003916  |
 | 3 1 7 1 |   7   2   1   3 |       96       28 | (-)     2688 |    0.012450  |
 | 5 2 1 2 |   1   1   3   1 |       29       40 | (-)     3773 |   -0.003020  |
 | 5 2 1 2 |  11   5   2   1 |       25       44 | (-)     4153 |    0.006133  |
 | 1 2 5 2 |  13   3   2   1 |       82       42 | (+)     4018 |   -0.005027  |
 | 1 2 5 2 |  13   3   2   1 |       82       42 | (-)     4018 |   -0.006605  |
 | 1 2 5 2 |  13   4   2   1 |       82       43 | (+)     4114 |    0.003112  |
 | 2 2 6 2 |   4   3   1   1 |       86       42 | (-)     4022 |   -0.003246  |
 | 5 3 1 3 |   4   5   2   1 |       18       51 | (-)     4818 |    0.006133  |
 | 1 3 5 3 |   6   3   2   1 |       75       49 | (+)     4683 |   -0.005027  |
 | 1 3 5 3 |   6   3   2   1 |       75       49 | (-)     4683 |   -0.006605  |
 | 1 3 5 3 |  10   3   2   1 |       79       49 | (-)     4687 |   -0.003246  |
 | 1 3 5 3 |   6   4   2   1 |       75       50 | (+)     4779 |    0.003112  |
 | 7 5 3 5 |   6   2   1   2 |       55       69 | (-)     6583 |   -0.005524  |
 | 7 5 3 5 |   2   6   1   2 |       51       73 | (-)     6963 |    0.003488  |
 | 3 5 7 5 |   5   3   1   2 |       94       70 | (-)     6718 |   -0.003602  |
 | 5 6 1 6 |  14   1   3   1 |       42       82 | (+)     7818 |   -0.006399  |
 | 5 6 1 6 |  14   1   3   1 |       42       82 | (-)     7818 |   -0.008319  |
 | 5 6 1 6 |  14   2   3   1 |       42       83 | (+)     7914 |    0.003620  |
 | 5 6 1 6 |  12   3   3   1 |       40       84 | (-)     8008 |   -0.003247  |
 | 6 6 2 6 |   1   1   1   1 |       43       82 | (+)     7819 |   -0.003628  |
 | 6 6 2 6 |   1   1   1   1 |       43       82 | (-)     7819 |   -0.004579  |
 | 6 6 2 6 |   4   1   1   1 |       46       82 | (+)     7822 |   -0.003078  |
 | 6 6 2 6 |   4   1   1   1 |       46       82 | (-)     7822 |   -0.003797  |
 | 1 6 5 6 |  13   1   2   1 |       82       82 | (-)     7858 |   -0.004374  |
 | 1 6 5 6 |  12   2   2   1 |       81       83 | (-)     7953 |    0.007485  |
 | 5 7 1 7 |   7   1   3   1 |       35       89 | (+)     8483 |   -0.006399  |
 | 5 7 1 7 |   7   1   3   1 |       35       89 | (-)     8483 |   -0.008319  |
 | 5 7 1 7 |   8   1   3   1 |       36       89 | (+)     8484 |   -0.003628  |
 | 5 7 1 7 |   8   1   3   1 |       36       89 | (-)     8484 |   -0.004579  |
 | 5 7 1 7 |  11   1   3   1 |       39       89 | (+)     8487 |   -0.003078  |
 | 5 7 1 7 |  11   1   3   1 |       39       89 | (-)     8487 |   -0.003797  |
 | 5 7 1 7 |   7   2   3   1 |       35       90 | (+)     8579 |    0.003620  |
 | 5 7 1 7 |   5   3   3   1 |       33       91 | (-)     8673 |   -0.003247  |
 | 1 7 5 7 |   6   1   2   1 |       75       89 | (-)     8523 |   -0.004374  |
 | 1 7 5 7 |   5   2   2   1 |       74       90 | (-)     8618 |    0.007485  |
 | 5 2 2 1 |   4   2   1   3 |       25       16 | (-)    10165 |    0.003284  |
 | 5 2 2 1 |  14   2   1   3 |       35       16 | (-)    10175 |    0.003284  |
 | 2 2 5 1 |   7   2   2   2 |       52        9 | (-)     9716 |    0.002997  |
 | 2 2 5 1 |   7   1   2   3 |       52       15 | (-)    10124 |   -0.007918  |
 | 2 2 5 1 |   7   4   2   3 |       52       18 | (-)    10328 |    0.003253  |
 | 1 2 6 1 |   3   2   1   3 |       55       16 | (-)    10195 |   -0.003253  |
 | 4 2 7 1 |   1   2   1   3 |       66       16 | (-)    10206 |    0.003253  |
 | 6 1 1 2 |   2   1   2   1 |        9       22 | (+)    10557 |   -0.004533  |
 | 6 1 1 2 |   2   1   2   1 |        9       22 | (-)    10557 |   -0.003967  |
 | 6 1 1 2 |   1   1   3   1 |       15       22 | (-)    10563 |    0.008713  |
 | 6 1 1 2 |   4   1   3   1 |       18       22 | (-)    10566 |    0.003305  |
 | 6 1 1 2 |   1   2   3   1 |       15       23 | (+)    10631 |    0.004053  |
 | 6 1 1 2 |   2   5   3   1 |       16       26 | (+)    10836 |    0.003528  |
 | 2 1 5 2 |   1   1   2   1 |       46       22 | (-)    10594 |   -0.003788  |
 | 2 1 5 2 |   7   1   2   1 |       52       22 | (-)    10600 |   -0.013689  |
 | 1 1 6 2 |   1   1   1   1 |       53       22 | (-)    10601 |    0.003501  |
 | 2 6 5 5 |   7   2   2   2 |       52       46 | (+)    12232 |    0.003075  |
 | 2 6 5 5 |   7   3   2   2 |       52       47 | (+)    12300 |   -0.003760  |
 | 2 6 5 5 |   7   3   2   2 |       52       47 | (-)    12300 |    0.003425  |
 | 8 3 2 1 |   1   2   1   3 |       22       16 | (-)    14786 |    0.003284  |
 | 5 3 3 1 |   4   2   1   3 |       28       16 | (-)    14792 |   -0.003284  |
 | 3 3 5 1 |   7   2   2   3 |       52       16 | (-)    14816 |    0.003253  |
 | 4 3 6 1 |   3   2   1   2 |       55        9 | (-)    14343 |    0.002997  |
 | 4 3 6 1 |   3   1   1   3 |       55       15 | (-)    14751 |   -0.007918  |
 | 4 3 6 1 |   3   4   1   3 |       55       18 | (-)    14955 |    0.003253  |
 | 1 3 7 1 |   3   2   1   3 |       58       16 | (-)    14822 |    0.003253  |
 | 7 1 1 3 |   2   1   2   1 |        9       25 | (+)    15385 |   -0.004533  |
 | 7 1 1 3 |   2   1   2   1 |        9       25 | (-)    15385 |   -0.003967  |
 | 7 1 1 3 |   1   1   3   1 |       15       25 | (-)    15391 |    0.008713  |
 | 7 1 1 3 |   4   1   3   1 |       18       25 | (-)    15394 |    0.003305  |
 | 7 1 1 3 |   1   2   3   1 |       15       26 | (+)    15459 |    0.004053  |
 | 7 1 1 3 |   2   5   3   1 |       16       29 | (+)    15664 |    0.003528  |
 | 3 1 5 3 |   1   1   2   1 |       46       25 | (-)    15422 |   -0.003788  |
 | 4 1 6 3 |   3   1   1   1 |       55       25 | (-)    15431 |   -0.013689  |
 | 1 1 7 3 |   1   1   1   1 |       56       25 | (-)    15432 |    0.003501  |
 | 4 7 6 5 |   3   2   1   2 |       55       46 | (+)    16859 |    0.003075  |
 | 4 7 6 5 |   3   3   1   2 |       55       47 | (+)    16927 |   -0.003760  |
 | 4 7 6 5 |   3   3   1   2 |       55       47 | (-)    16927 |    0.003425  |
 +=============================================================================+


          Norm of Printed Amplitude Vector :             0.9919


          Printed all single excitations greater than  0.199468


          Printed all double excitations greater than  0.002915


 Analysis of the Coupled Cluster Excitation Vector Number :  2
 -------------------------------------------------------------

          Excitation Energy :                             3.9668 eV


     CC_PRAM:Overall Contribution of the Different Components
     --------------------------------------------------------



     Single Excitation Contribution      :          0.1094 %

     Double Excitation Contribution (+/-):          0.0596 %    /   99.8311 % 

     ||T1||/||T2||                       :          0.0331

     Norm of Total Amplitude Vector :          1.0000


 +=============================================================================+
 | symmetry|  orbital index  |   Excitation Numbers             |   Amplitude  |
 |  Index  |   a   b   i   j |      NAI      NBJ |     NAIBJ    |              |
 +=============================================================================+
 | 2   6   |   1       1     |       83          |              |   -0.017071  |
 | 3   7   |   1       1     |       90          |              |    0.017071  |
 | 6   2   |   1       1     |       43          |              |    0.012833  |
 | 7   3   |   1       1     |       50          |              |   -0.012833  |
 +-----------------------------------------------------------------------------+
 | 2 1 5 2 |   7   1   2   1 |       52       22 | (-)    10600 |   -0.700712  |
 | 4 1 6 3 |   3   1   1   1 |       55       25 | (-)    15431 |    0.700712  |
 +=============================================================================+


          Norm of Printed Amplitude Vector :             0.9914


          Printed all single excitations greater than  0.006614


          Printed all double excitations greater than  0.199891


 Analysis of the Coupled Cluster Excitation Vector Number :  3
 -------------------------------------------------------------

          Excitation Energy :                             4.0004 eV


     CC_PRAM:Overall Contribution of the Different Components
     --------------------------------------------------------



     Single Excitation Contribution      :          0.6686 %

     Double Excitation Contribution (+/-):          0.0597 %    /   99.2717 % 

     ||T1||/||T2||                       :          0.0820

     Norm of Total Amplitude Vector :          1.0000


 +=============================================================================+
 | symmetry|  orbital index  |   Excitation Numbers             |   Amplitude  |
 |  Index  |   a   b   i   j |      NAI      NBJ |     NAIBJ    |              |
 +=============================================================================+
 | 2   6   |   1       1     |       83          |              |    0.016372  |
 | 3   7   |   1       1     |       90          |              |    0.016372  |
 | 5   1   |   1       3     |       29          |              |    0.074096  |
 +-----------------------------------------------------------------------------+
 | 2 1 5 2 |   7   1   2   1 |       52       22 | (-)    10600 |    0.698716  |
 | 4 1 6 3 |   3   1   1   1 |       55       25 | (-)    15431 |    0.698716  |
 +=============================================================================+


          Norm of Printed Amplitude Vector :             0.9912


          Printed all single excitations greater than  0.016353


          Printed all double excitations greater than  0.199330
 Vector nr. 28 of symmetry  5 found on file - RESTART SUCCESS
 Start vector is a CC3       RE  vector
 Vector nr. 29 of symmetry  5 found on file - RESTART SUCCESS
 Start vector is a CC3       RE  vector


 CC3        excitation energies with Omega=   0.145776
 =====================================================
 (conversion factor used: 1 au = 27.2113957 eV)

 Excitation no.       Hartree               eV
 --------------       -------               --

         1            0.078917            2.147441
         2            0.145803            3.967506

 Converged root to diff. -0.000027  for root   2 in   2 iterations



 Total excited state energies for states of symmetry/spin   5  3
 Excitation no.       Energy (Hartree) 
 ------------------------------------- 
@@@    5    2          -199.159709435842132


 Analysis of the Coupled Cluster Excitation Vector Number :  1
 -------------------------------------------------------------

          Excitation Energy :                             2.1474 eV


     CC_PRAM:Overall Contribution of the Different Components
     --------------------------------------------------------



     Single Excitation Contribution      :         99.4688 %

     Double Excitation Contribution (+/-):          0.1050 %    /    0.4262 % 

     ||T1||/||T2||                       :         13.6839

     Norm of Total Amplitude Vector :          1.0000


 +=============================================================================+
 | symmetry|  orbital index  |   Excitation Numbers             |   Amplitude  |
 |  Index  |   a   b   i   j |      NAI      NBJ |     NAIBJ    |              |
 +=============================================================================+
 | 5   1   |   1       3     |       29          |              |    0.990021  |
 +-----------------------------------------------------------------------------+
 | 5 1 1 1 |   1   2   1   2 |        1       15 | (-)     1345 |    0.003393  |
 | 5 1 1 1 |  13   2   1   2 |       13       15 | (-)     1357 |    0.009188  |
 | 5 1 1 1 |  14   2   1   2 |       14       15 | (-)     1358 |   -0.007612  |
 | 5 1 1 1 |   1   2   2   2 |       15       15 | (-)     1359 |    0.013732  |
 | 5 1 1 1 |   3   2   2   2 |       17       15 | (-)     1361 |   -0.006185  |
 | 5 1 1 1 |   4   2   2   2 |       18       15 | (-)     1362 |   -0.003262  |
 | 5 1 1 1 |   7   2   2   2 |       21       15 | (-)     1365 |   -0.004666  |
 | 5 1 1 1 |  13   2   2   2 |       27       15 | (-)     1371 |   -0.008160  |
 | 5 1 1 1 |   6   2   3   2 |       34       15 | (-)     1378 |   -0.008160  |
 | 5 1 1 1 |  14   3   1   2 |       14       16 | (-)     1454 |   -0.003398  |
 | 5 1 1 1 |  12   4   1   2 |       12       17 | (-)     1548 |   -0.003472  |
 | 5 1 1 1 |   1   3   1   3 |        1       29 | (-)     2689 |    0.008933  |
 | 5 1 1 1 |  12   3   1   3 |       12       29 | (-)     2700 |   -0.003108  |
 | 5 1 1 1 |   5   3   2   3 |       19       29 | (-)     2707 |   -0.003108  |
 | 5 1 1 1 |  12   3   3   3 |       40       29 | (-)     2728 |    0.007391  |
 | 5 1 1 1 |  13   3   3   3 |       41       29 | (+)     2729 |    0.003571  |
 | 5 1 1 1 |  11   4   1   3 |       11       30 | (-)     2795 |    0.005309  |
 | 5 1 1 1 |   4   4   2   3 |       18       30 | (-)     2802 |    0.005309  |
 | 5 1 1 1 |  11   4   3   3 |       39       30 | (-)     2823 |   -0.007289  |
 | 5 1 1 1 |  12   4   3   3 |       40       30 | (-)     2824 |    0.004599  |
 | 5 1 1 1 |  10   5   1   3 |       10       31 | (-)     2890 |   -0.003632  |
 | 5 1 1 1 |   3   5   2   3 |       17       31 | (-)     2897 |   -0.003632  |
 | 5 1 1 1 |  10   5   3   3 |       38       31 | (-)     2918 |   -0.011474  |
 | 5 1 1 1 |   9   7   1   3 |        9       33 | (-)     3081 |    0.002996  |
 | 5 1 1 1 |   2   7   2   3 |       16       33 | (-)     3088 |    0.002996  |
 | 5 1 1 1 |   8   7   3   3 |       36       33 | (-)     3108 |    0.012348  |
 | 5 1 1 1 |   7   8   3   3 |       35       34 | (-)     3203 |   -0.004327  |
 | 5 1 1 1 |   6   9   1   3 |        6       35 | (-)     3270 |    0.003322  |
 | 5 1 1 1 |  13   9   1   3 |       13       35 | (-)     3277 |    0.003322  |
 | 5 1 1 1 |   2  13   3   3 |       30       39 | (-)     3678 |   -0.003196  |
 | 7 1 3 1 |   5   2   1   2 |       54       15 | (-)     1398 |   -0.003939  |
 | 7 1 3 1 |   6   2   1   2 |       55       15 | (-)     1399 |    0.003462  |
 | 7 1 3 1 |   4   3   1   2 |       53       16 | (-)     1493 |   -0.003420  |
 | 7 1 3 1 |   5   3   1   3 |       54       29 | (-)     2742 |   -0.003959  |
 | 7 1 3 1 |   4   4   1   3 |       53       30 | (+)     2837 |   -0.004229  |
 | 7 1 3 1 |   4   4   1   3 |       53       30 | (-)     2837 |    0.005294  |
 | 7 1 3 1 |   3   5   1   3 |       52       31 | (+)     2932 |    0.003310  |
 | 7 1 3 1 |   3   5   1   3 |       52       31 | (-)     2932 |   -0.003893  |
 | 7 1 3 1 |   2   7   1   3 |       51       33 | (+)     3123 |   -0.003312  |
 | 1 1 5 1 |  13   2   1   2 |       69       15 | (+)     1413 |    0.004144  |
 | 1 1 5 1 |  13   2   1   2 |       69       15 | (-)     1413 |   -0.007663  |
 | 1 1 5 1 |   7   2   2   2 |       76       15 | (+)     1420 |    0.004144  |
 | 1 1 5 1 |   7   2   2   2 |       76       15 | (-)     1420 |   -0.007663  |
 | 1 1 5 1 |   5   3   1   3 |       61       29 | (-)     2749 |   -0.003959  |
 | 1 1 5 1 |  12   3   2   3 |       81       29 | (-)     2769 |    0.003661  |
 | 1 1 5 1 |   4   4   1   3 |       60       30 | (+)     2844 |   -0.004229  |
 | 1 1 5 1 |   4   4   1   3 |       60       30 | (-)     2844 |    0.005294  |
 | 1 1 5 1 |   3   5   1   3 |       59       31 | (+)     2939 |    0.003310  |
 | 1 1 5 1 |   3   5   1   3 |       59       31 | (-)     2939 |   -0.003893  |
 | 1 1 5 1 |   2   7   1   3 |       58       33 | (+)     3130 |   -0.003312  |
 | 2 1 6 1 |   2   2   1   3 |       84       28 | (+)     2676 |    0.003916  |
 | 3 1 7 1 |   7   2   1   3 |       96       28 | (-)     2688 |    0.012450  |
 | 5 2 1 2 |   1   1   3   1 |       29       40 | (-)     3773 |   -0.003020  |
 | 5 2 1 2 |  11   5   2   1 |       25       44 | (-)     4153 |    0.006133  |
 | 1 2 5 2 |  13   3   2   1 |       82       42 | (+)     4018 |   -0.005027  |
 | 1 2 5 2 |  13   3   2   1 |       82       42 | (-)     4018 |   -0.006605  |
 | 1 2 5 2 |  13   4   2   1 |       82       43 | (+)     4114 |    0.003112  |
 | 2 2 6 2 |   4   3   1   1 |       86       42 | (-)     4022 |   -0.003246  |
 | 5 3 1 3 |   4   5   2   1 |       18       51 | (-)     4818 |    0.006133  |
 | 1 3 5 3 |   6   3   2   1 |       75       49 | (+)     4683 |   -0.005027  |
 | 1 3 5 3 |   6   3   2   1 |       75       49 | (-)     4683 |   -0.006605  |
 | 1 3 5 3 |  10   3   2   1 |       79       49 | (-)     4687 |   -0.003246  |
 | 1 3 5 3 |   6   4   2   1 |       75       50 | (+)     4779 |    0.003112  |
 | 7 5 3 5 |   6   2   1   2 |       55       69 | (-)     6583 |   -0.005524  |
 | 7 5 3 5 |   2   6   1   2 |       51       73 | (-)     6963 |    0.003488  |
 | 3 5 7 5 |   5   3   1   2 |       94       70 | (-)     6718 |   -0.003602  |
 | 5 6 1 6 |  14   1   3   1 |       42       82 | (+)     7818 |   -0.006399  |
 | 5 6 1 6 |  14   1   3   1 |       42       82 | (-)     7818 |   -0.008319  |
 | 5 6 1 6 |  14   2   3   1 |       42       83 | (+)     7914 |    0.003620  |
 | 5 6 1 6 |  12   3   3   1 |       40       84 | (-)     8008 |   -0.003247  |
 | 6 6 2 6 |   1   1   1   1 |       43       82 | (+)     7819 |   -0.003628  |
 | 6 6 2 6 |   1   1   1   1 |       43       82 | (-)     7819 |   -0.004579  |
 | 6 6 2 6 |   4   1   1   1 |       46       82 | (+)     7822 |   -0.003078  |
 | 6 6 2 6 |   4   1   1   1 |       46       82 | (-)     7822 |   -0.003797  |
 | 1 6 5 6 |  13   1   2   1 |       82       82 | (-)     7858 |   -0.004374  |
 | 1 6 5 6 |  12   2   2   1 |       81       83 | (-)     7953 |    0.007485  |
 | 5 7 1 7 |   7   1   3   1 |       35       89 | (+)     8483 |   -0.006399  |
 | 5 7 1 7 |   7   1   3   1 |       35       89 | (-)     8483 |   -0.008319  |
 | 5 7 1 7 |   8   1   3   1 |       36       89 | (+)     8484 |   -0.003628  |
 | 5 7 1 7 |   8   1   3   1 |       36       89 | (-)     8484 |   -0.004579  |
 | 5 7 1 7 |  11   1   3   1 |       39       89 | (+)     8487 |   -0.003078  |
 | 5 7 1 7 |  11   1   3   1 |       39       89 | (-)     8487 |   -0.003797  |
 | 5 7 1 7 |   7   2   3   1 |       35       90 | (+)     8579 |    0.003620  |
 | 5 7 1 7 |   5   3   3   1 |       33       91 | (-)     8673 |   -0.003247  |
 | 1 7 5 7 |   6   1   2   1 |       75       89 | (-)     8523 |   -0.004374  |
 | 1 7 5 7 |   5   2   2   1 |       74       90 | (-)     8618 |    0.007485  |
 | 5 2 2 1 |   4   2   1   3 |       25       16 | (-)    10165 |    0.003284  |
 | 5 2 2 1 |  14   2   1   3 |       35       16 | (-)    10175 |    0.003284  |
 | 2 2 5 1 |   7   2   2   2 |       52        9 | (-)     9716 |    0.002997  |
 | 2 2 5 1 |   7   1   2   3 |       52       15 | (-)    10124 |   -0.007918  |
 | 2 2 5 1 |   7   4   2   3 |       52       18 | (-)    10328 |    0.003253  |
 | 1 2 6 1 |   3   2   1   3 |       55       16 | (-)    10195 |   -0.003253  |
 | 4 2 7 1 |   1   2   1   3 |       66       16 | (-)    10206 |    0.003253  |
 | 6 1 1 2 |   2   1   2   1 |        9       22 | (+)    10557 |   -0.004533  |
 | 6 1 1 2 |   2   1   2   1 |        9       22 | (-)    10557 |   -0.003967  |
 | 6 1 1 2 |   1   1   3   1 |       15       22 | (-)    10563 |    0.008713  |
 | 6 1 1 2 |   4   1   3   1 |       18       22 | (-)    10566 |    0.003305  |
 | 6 1 1 2 |   1   2   3   1 |       15       23 | (+)    10631 |    0.004053  |
 | 6 1 1 2 |   2   5   3   1 |       16       26 | (+)    10836 |    0.003528  |
 | 2 1 5 2 |   1   1   2   1 |       46       22 | (-)    10594 |   -0.003788  |
 | 2 1 5 2 |   7   1   2   1 |       52       22 | (-)    10600 |   -0.013689  |
 | 1 1 6 2 |   1   1   1   1 |       53       22 | (-)    10601 |    0.003501  |
 | 2 6 5 5 |   7   2   2   2 |       52       46 | (+)    12232 |    0.003075  |
 | 2 6 5 5 |   7   3   2   2 |       52       47 | (+)    12300 |   -0.003760  |
 | 2 6 5 5 |   7   3   2   2 |       52       47 | (-)    12300 |    0.003425  |
 | 8 3 2 1 |   1   2   1   3 |       22       16 | (-)    14786 |    0.003284  |
 | 5 3 3 1 |   4   2   1   3 |       28       16 | (-)    14792 |   -0.003284  |
 | 3 3 5 1 |   7   2   2   3 |       52       16 | (-)    14816 |    0.003253  |
 | 4 3 6 1 |   3   2   1   2 |       55        9 | (-)    14343 |    0.002997  |
 | 4 3 6 1 |   3   1   1   3 |       55       15 | (-)    14751 |   -0.007918  |
 | 4 3 6 1 |   3   4   1   3 |       55       18 | (-)    14955 |    0.003253  |
 | 1 3 7 1 |   3   2   1   3 |       58       16 | (-)    14822 |    0.003253  |
 | 7 1 1 3 |   2   1   2   1 |        9       25 | (+)    15385 |   -0.004533  |
 | 7 1 1 3 |   2   1   2   1 |        9       25 | (-)    15385 |   -0.003967  |
 | 7 1 1 3 |   1   1   3   1 |       15       25 | (-)    15391 |    0.008713  |
 | 7 1 1 3 |   4   1   3   1 |       18       25 | (-)    15394 |    0.003305  |
 | 7 1 1 3 |   1   2   3   1 |       15       26 | (+)    15459 |    0.004053  |
 | 7 1 1 3 |   2   5   3   1 |       16       29 | (+)    15664 |    0.003528  |
 | 3 1 5 3 |   1   1   2   1 |       46       25 | (-)    15422 |   -0.003788  |
 | 4 1 6 3 |   3   1   1   1 |       55       25 | (-)    15431 |   -0.013689  |
 | 1 1 7 3 |   1   1   1   1 |       56       25 | (-)    15432 |    0.003501  |
 | 4 7 6 5 |   3   2   1   2 |       55       46 | (+)    16859 |    0.003075  |
 | 4 7 6 5 |   3   3   1   2 |       55       47 | (+)    16927 |   -0.003760  |
 | 4 7 6 5 |   3   3   1   2 |       55       47 | (-)    16927 |    0.003425  |
 +=============================================================================+


          Norm of Printed Amplitude Vector :             0.9919


          Printed all single excitations greater than  0.199468


          Printed all double excitations greater than  0.002915


 Analysis of the Coupled Cluster Excitation Vector Number :  2
 -------------------------------------------------------------

          Excitation Energy :                             3.9675 eV


     CC_PRAM:Overall Contribution of the Different Components
     --------------------------------------------------------



     Single Excitation Contribution      :          0.1094 %

     Double Excitation Contribution (+/-):          0.0596 %    /   99.8311 % 

     ||T1||/||T2||                       :          0.0331

     Norm of Total Amplitude Vector :          1.0000


 +=============================================================================+
 | symmetry|  orbital index  |   Excitation Numbers             |   Amplitude  |
 |  Index  |   a   b   i   j |      NAI      NBJ |     NAIBJ    |              |
 +=============================================================================+
 | 2   6   |   1       1     |       83          |              |   -0.017071  |
 | 3   7   |   1       1     |       90          |              |    0.017071  |
 | 6   2   |   1       1     |       43          |              |    0.012833  |
 | 7   3   |   1       1     |       50          |              |   -0.012833  |
 +-----------------------------------------------------------------------------+
 | 2 1 5 2 |   7   1   2   1 |       52       22 | (-)    10600 |   -0.700712  |
 | 4 1 6 3 |   3   1   1   1 |       55       25 | (-)    15431 |    0.700712  |
 +=============================================================================+


          Norm of Printed Amplitude Vector :             0.9914


          Printed all single excitations greater than  0.006614


          Printed all double excitations greater than  0.199891
 Vector nr. 28 of symmetry  5 found on file - RESTART SUCCESS
 Start vector is a CC3       RE  vector


 CC3        excitation energies with Omega=   0.078917
 =====================================================
 (conversion factor used: 1 au = 27.2113957 eV)

 Excitation no.       Hartree               eV
 --------------       -------               --

         1            0.078982            2.149207

 Converged root to diff. -0.000065  for root   1 in   2 iterations



 Total excited state energies for states of symmetry/spin   5  3
 Excitation no.       Energy (Hartree) 
 ------------------------------------- 
@@@    5    1          -199.226530712232488


 Analysis of the Coupled Cluster Excitation Vector Number :  1
 -------------------------------------------------------------

          Excitation Energy :                             2.1492 eV


     CC_PRAM:Overall Contribution of the Different Components
     --------------------------------------------------------



     Single Excitation Contribution      :         99.4692 %

     Double Excitation Contribution (+/-):          0.1049 %    /    0.4259 % 

     ||T1||/||T2||                       :         13.6893

     Norm of Total Amplitude Vector :          1.0000


 +=============================================================================+
 | symmetry|  orbital index  |   Excitation Numbers             |   Amplitude  |
 |  Index  |   a   b   i   j |      NAI      NBJ |     NAIBJ    |              |
 +=============================================================================+
 | 5   1   |   1       3     |       29          |              |    0.990022  |
 +-----------------------------------------------------------------------------+
 | 5 1 1 1 |   1   2   1   2 |        1       15 | (-)     1345 |    0.003394  |
 | 5 1 1 1 |  13   2   1   2 |       13       15 | (-)     1357 |    0.009183  |
 | 5 1 1 1 |  14   2   1   2 |       14       15 | (-)     1358 |   -0.007607  |
 | 5 1 1 1 |   1   2   2   2 |       15       15 | (-)     1359 |    0.013728  |
 | 5 1 1 1 |   3   2   2   2 |       17       15 | (-)     1361 |   -0.006184  |
 | 5 1 1 1 |   4   2   2   2 |       18       15 | (-)     1362 |   -0.003261  |
 | 5 1 1 1 |   7   2   2   2 |       21       15 | (-)     1365 |   -0.004665  |
 | 5 1 1 1 |  13   2   2   2 |       27       15 | (-)     1371 |   -0.008157  |
 | 5 1 1 1 |   6   2   3   2 |       34       15 | (-)     1378 |   -0.008157  |
 | 5 1 1 1 |  14   3   1   2 |       14       16 | (-)     1454 |   -0.003398  |
 | 5 1 1 1 |  12   4   1   2 |       12       17 | (-)     1548 |   -0.003474  |
 | 5 1 1 1 |   1   3   1   3 |        1       29 | (-)     2689 |    0.008932  |
 | 5 1 1 1 |  12   3   1   3 |       12       29 | (-)     2700 |   -0.003100  |
 | 5 1 1 1 |   5   3   2   3 |       19       29 | (-)     2707 |   -0.003100  |
 | 5 1 1 1 |  12   3   3   3 |       40       29 | (-)     2728 |    0.007383  |
 | 5 1 1 1 |  13   3   3   3 |       41       29 | (+)     2729 |    0.003568  |
 | 5 1 1 1 |  11   4   1   3 |       11       30 | (-)     2795 |    0.005306  |
 | 5 1 1 1 |   4   4   2   3 |       18       30 | (-)     2802 |    0.005306  |
 | 5 1 1 1 |  11   4   3   3 |       39       30 | (-)     2823 |   -0.007286  |
 | 5 1 1 1 |  12   4   3   3 |       40       30 | (-)     2824 |    0.004597  |
 | 5 1 1 1 |  10   5   1   3 |       10       31 | (-)     2890 |   -0.003632  |
 | 5 1 1 1 |   3   5   2   3 |       17       31 | (-)     2897 |   -0.003632  |
 | 5 1 1 1 |  10   5   3   3 |       38       31 | (-)     2918 |   -0.011469  |
 | 5 1 1 1 |   9   7   1   3 |        9       33 | (-)     3081 |    0.002996  |
 | 5 1 1 1 |   2   7   2   3 |       16       33 | (-)     3088 |    0.002996  |
 | 5 1 1 1 |   8   7   3   3 |       36       33 | (-)     3108 |    0.012345  |
 | 5 1 1 1 |   7   8   3   3 |       35       34 | (-)     3203 |   -0.004327  |
 | 5 1 1 1 |   6   9   1   3 |        6       35 | (-)     3270 |    0.003322  |
 | 5 1 1 1 |  13   9   1   3 |       13       35 | (-)     3277 |    0.003322  |
 | 5 1 1 1 |   2  13   3   3 |       30       39 | (-)     3678 |   -0.003196  |
 | 7 1 3 1 |   5   2   1   2 |       54       15 | (-)     1398 |   -0.003936  |
 | 7 1 3 1 |   6   2   1   2 |       55       15 | (-)     1399 |    0.003459  |
 | 7 1 3 1 |   4   3   1   2 |       53       16 | (-)     1493 |   -0.003417  |
 | 7 1 3 1 |   5   3   1   3 |       54       29 | (-)     2742 |   -0.003955  |
 | 7 1 3 1 |   4   4   1   3 |       53       30 | (+)     2837 |   -0.004226  |
 | 7 1 3 1 |   4   4   1   3 |       53       30 | (-)     2837 |    0.005290  |
 | 7 1 3 1 |   3   5   1   3 |       52       31 | (+)     2932 |    0.003308  |
 | 7 1 3 1 |   3   5   1   3 |       52       31 | (-)     2932 |   -0.003891  |
 | 7 1 3 1 |   2   7   1   3 |       51       33 | (+)     3123 |   -0.003311  |
 | 1 1 5 1 |  13   2   1   2 |       69       15 | (+)     1413 |    0.004143  |
 | 1 1 5 1 |  13   2   1   2 |       69       15 | (-)     1413 |   -0.007662  |
 | 1 1 5 1 |   7   2   2   2 |       76       15 | (+)     1420 |    0.004143  |
 | 1 1 5 1 |   7   2   2   2 |       76       15 | (-)     1420 |   -0.007662  |
 | 1 1 5 1 |   5   3   1   3 |       61       29 | (-)     2749 |   -0.003955  |
 | 1 1 5 1 |  12   3   2   3 |       81       29 | (-)     2769 |    0.003659  |
 | 1 1 5 1 |   4   4   1   3 |       60       30 | (+)     2844 |   -0.004226  |
 | 1 1 5 1 |   4   4   1   3 |       60       30 | (-)     2844 |    0.005290  |
 | 1 1 5 1 |   3   5   1   3 |       59       31 | (+)     2939 |    0.003308  |
 | 1 1 5 1 |   3   5   1   3 |       59       31 | (-)     2939 |   -0.003891  |
 | 1 1 5 1 |   2   7   1   3 |       58       33 | (+)     3130 |   -0.003311  |
 | 2 1 6 1 |   2   2   1   3 |       84       28 | (+)     2676 |    0.003918  |
 | 3 1 7 1 |   7   2   1   3 |       96       28 | (-)     2688 |    0.012443  |
 | 5 2 1 2 |   1   1   3   1 |       29       40 | (-)     3773 |   -0.003020  |
 | 5 2 1 2 |  11   5   2   1 |       25       44 | (-)     4153 |    0.006132  |
 | 1 2 5 2 |  13   3   2   1 |       82       42 | (+)     4018 |   -0.005025  |
 | 1 2 5 2 |  13   3   2   1 |       82       42 | (-)     4018 |   -0.006606  |
 | 1 2 5 2 |  13   4   2   1 |       82       43 | (+)     4114 |    0.003112  |
 | 2 2 6 2 |   4   3   1   1 |       86       42 | (-)     4022 |   -0.003247  |
 | 5 3 1 3 |   4   5   2   1 |       18       51 | (-)     4818 |    0.006132  |
 | 1 3 5 3 |   6   3   2   1 |       75       49 | (+)     4683 |   -0.005025  |
 | 1 3 5 3 |   6   3   2   1 |       75       49 | (-)     4683 |   -0.006606  |
 | 1 3 5 3 |  10   3   2   1 |       79       49 | (-)     4687 |   -0.003247  |
 | 1 3 5 3 |   6   4   2   1 |       75       50 | (+)     4779 |    0.003112  |
 | 7 5 3 5 |   6   2   1   2 |       55       69 | (-)     6583 |   -0.005524  |
 | 7 5 3 5 |   2   6   1   2 |       51       73 | (-)     6963 |    0.003488  |
 | 3 5 7 5 |   5   3   1   2 |       94       70 | (-)     6718 |   -0.003604  |
 | 5 6 1 6 |  14   1   3   1 |       42       82 | (+)     7818 |   -0.006394  |
 | 5 6 1 6 |  14   1   3   1 |       42       82 | (-)     7818 |   -0.008317  |
 | 5 6 1 6 |  14   2   3   1 |       42       83 | (+)     7914 |    0.003619  |
 | 5 6 1 6 |  12   3   3   1 |       40       84 | (-)     8008 |   -0.003246  |
 | 6 6 2 6 |   1   1   1   1 |       43       82 | (+)     7819 |   -0.003627  |
 | 6 6 2 6 |   1   1   1   1 |       43       82 | (-)     7819 |   -0.004581  |
 | 6 6 2 6 |   4   1   1   1 |       46       82 | (+)     7822 |   -0.003078  |
 | 6 6 2 6 |   4   1   1   1 |       46       82 | (-)     7822 |   -0.003800  |
 | 1 6 5 6 |  13   1   2   1 |       82       82 | (-)     7858 |   -0.004371  |
 | 1 6 5 6 |  12   2   2   1 |       81       83 | (-)     7953 |    0.007483  |
 | 5 7 1 7 |   7   1   3   1 |       35       89 | (+)     8483 |   -0.006394  |
 | 5 7 1 7 |   7   1   3   1 |       35       89 | (-)     8483 |   -0.008317  |
 | 5 7 1 7 |   8   1   3   1 |       36       89 | (+)     8484 |   -0.003627  |
 | 5 7 1 7 |   8   1   3   1 |       36       89 | (-)     8484 |   -0.004581  |
 | 5 7 1 7 |  11   1   3   1 |       39       89 | (+)     8487 |   -0.003078  |
 | 5 7 1 7 |  11   1   3   1 |       39       89 | (-)     8487 |   -0.003800  |
 | 5 7 1 7 |   7   2   3   1 |       35       90 | (+)     8579 |    0.003619  |
 | 5 7 1 7 |   5   3   3   1 |       33       91 | (-)     8673 |   -0.003246  |
 | 1 7 5 7 |   6   1   2   1 |       75       89 | (-)     8523 |   -0.004371  |
 | 1 7 5 7 |   5   2   2   1 |       74       90 | (-)     8618 |    0.007483  |
 | 5 2 2 1 |   4   2   1   3 |       25       16 | (-)    10165 |    0.003284  |
 | 5 2 2 1 |  14   2   1   3 |       35       16 | (-)    10175 |    0.003284  |
 | 2 2 5 1 |   7   2   2   2 |       52        9 | (-)     9716 |    0.002996  |
 | 2 2 5 1 |   7   1   2   3 |       52       15 | (-)    10124 |   -0.007911  |
 | 2 2 5 1 |   7   4   2   3 |       52       18 | (-)    10328 |    0.003253  |
 | 1 2 6 1 |   3   2   1   3 |       55       16 | (-)    10195 |   -0.003252  |
 | 4 2 7 1 |   1   2   1   3 |       66       16 | (-)    10206 |    0.003252  |
 | 6 1 1 2 |   2   1   2   1 |        9       22 | (+)    10557 |   -0.004532  |
 | 6 1 1 2 |   2   1   2   1 |        9       22 | (-)    10557 |   -0.003966  |
 | 6 1 1 2 |   1   1   3   1 |       15       22 | (-)    10563 |    0.008704  |
 | 6 1 1 2 |   4   1   3   1 |       18       22 | (-)    10566 |    0.003305  |
 | 6 1 1 2 |   1   2   3   1 |       15       23 | (+)    10631 |    0.004052  |
 | 6 1 1 2 |   2   5   3   1 |       16       26 | (+)    10836 |    0.003528  |
 | 2 1 5 2 |   1   1   2   1 |       46       22 | (-)    10594 |   -0.003788  |
 | 2 1 5 2 |   7   1   2   1 |       52       22 | (-)    10600 |   -0.013667  |
 | 1 1 6 2 |   1   1   1   1 |       53       22 | (-)    10601 |    0.003494  |
 | 2 6 5 5 |   7   2   2   2 |       52       46 | (+)    12232 |    0.003071  |
 | 2 6 5 5 |   7   3   2   2 |       52       47 | (+)    12300 |   -0.003759  |
 | 2 6 5 5 |   7   3   2   2 |       52       47 | (-)    12300 |    0.003423  |
 | 8 3 2 1 |   1   2   1   3 |       22       16 | (-)    14786 |    0.003284  |
 | 5 3 3 1 |   4   2   1   3 |       28       16 | (-)    14792 |   -0.003284  |
 | 3 3 5 1 |   7   2   2   3 |       52       16 | (-)    14816 |    0.003252  |
 | 4 3 6 1 |   3   2   1   2 |       55        9 | (-)    14343 |    0.002996  |
 | 4 3 6 1 |   3   1   1   3 |       55       15 | (-)    14751 |   -0.007911  |
 | 4 3 6 1 |   3   4   1   3 |       55       18 | (-)    14955 |    0.003253  |
 | 1 3 7 1 |   3   2   1   3 |       58       16 | (-)    14822 |    0.003252  |
 | 7 1 1 3 |   2   1   2   1 |        9       25 | (+)    15385 |   -0.004532  |
 | 7 1 1 3 |   2   1   2   1 |        9       25 | (-)    15385 |   -0.003966  |
 | 7 1 1 3 |   1   1   3   1 |       15       25 | (-)    15391 |    0.008704  |
 | 7 1 1 3 |   4   1   3   1 |       18       25 | (-)    15394 |    0.003305  |
 | 7 1 1 3 |   1   2   3   1 |       15       26 | (+)    15459 |    0.004052  |
 | 7 1 1 3 |   2   5   3   1 |       16       29 | (+)    15664 |    0.003528  |
 | 3 1 5 3 |   1   1   2   1 |       46       25 | (-)    15422 |   -0.003788  |
 | 4 1 6 3 |   3   1   1   1 |       55       25 | (-)    15431 |   -0.013667  |
 | 1 1 7 3 |   1   1   1   1 |       56       25 | (-)    15432 |    0.003494  |
 | 4 7 6 5 |   3   2   1   2 |       55       46 | (+)    16859 |    0.003071  |
 | 4 7 6 5 |   3   3   1   2 |       55       47 | (+)    16927 |   -0.003759  |
 | 4 7 6 5 |   3   3   1   2 |       55       47 | (-)    16927 |    0.003423  |
 +=============================================================================+


          Norm of Printed Amplitude Vector :             0.9919


          Printed all single excitations greater than  0.199468


          Printed all double excitations greater than  0.002914


 *******************************************************************************

 --------------------------
 Symmetry class Nr.:     6
 Multiplicity      :     1
 --------------------------

 Length of Excitation vectors in this class is:     18904
 Converging for  3 roots.
 Vector nr. 31 of symmetry  6 found on file - RESTART SUCCESS
 Start vector is a CCSD      RE  vector
 Vector nr. 32 of symmetry  6 found on file - RESTART SUCCESS
 Start vector is a CCSD      RE  vector
 Vector nr. 33 of symmetry  6 found on file - RESTART SUCCESS
 Start vector is a CCSD      RE  vector


 SYMMETRY CLASS NR.    6
 MULTIPLICITY          1


 CC3        excitation energies with Omega=   0.895107
 =====================================================
 (conversion factor used: 1 au = 27.2113957 eV)

 Excitation no.       Hartree               eV 
 --------------       -------               --
         1            0.0792093064        2.1553948706
         2            0.4672884306       12.7155650216
         3            0.8887692341       24.1846411039


 Total excited state energies for states of symmetry/spin    6    1
 Excitation no.       Energy (Hartree) 
 ------------------------------------- 
@@    6    1          -199.226303308317654
@@    6    2          -198.838224184169860
@@    6    3          -198.416743380629754


 Analysis of the Coupled Cluster Excitation Vector Number :  1
 -------------------------------------------------------------

          Excitation Energy :                             2.1554 eV


          CC_PRAM:Overall Contribution of the Different Components
          --------------------------------------------------------



          Single Excitation Contribution :              66.0151 %

          Double Excitation Contribution :              33.9849 %

          ||T1||/||T2||                  :               1.3937

          Norm of Total Amplitude Vector :               1.0000


 +=============================================================================+
 | symmetry|  orbital index  |   Excitation Numbers             |   Amplitude  |
 |  Index  |   a   b   i   j |      NAI      NBJ |     NAIBJ    |              |
 +=============================================================================+
 | 5   2   |   1       1     |       22          |              |    0.808899  |
 +-----------------------------------------------------------------------------+
 | 5 2 1 1 |   8   7   3   3 |       36       21 |         1956 |    0.561881  |
 +=============================================================================+


          Norm of Printed Amplitude Vector :             0.9849

          Printed all single excitations greater than 0.162499

          Printed all double excitations greater than 0.116593


 Analysis of the Coupled Cluster Excitation Vector Number :  2
 -------------------------------------------------------------

          Excitation Energy :                            12.7156 eV


          CC_PRAM:Overall Contribution of the Different Components
          --------------------------------------------------------



          Single Excitation Contribution :              29.4595 %

          Double Excitation Contribution :              70.5405 %

          ||T1||/||T2||                  :               0.6462

          Norm of Total Amplitude Vector :               1.0000


 +=============================================================================+
 | symmetry|  orbital index  |   Excitation Numbers             |   Amplitude  |
 |  Index  |   a   b   i   j |      NAI      NBJ |     NAIBJ    |              |
 +=============================================================================+
 | 5   2   |   1       1     |       22          |              |    0.528675  |
 +-----------------------------------------------------------------------------+
 | 5 2 1 1 |   8   7   3   3 |       36       21 |         1956 |   -0.803988  |
 +=============================================================================+


          Norm of Printed Amplitude Vector :             0.9622

          Printed all single excitations greater than 0.108553

          Printed all double excitations greater than 0.167977


 Analysis of the Coupled Cluster Excitation Vector Number :  3
 -------------------------------------------------------------

          Excitation Energy :                            24.1846 eV


          CC_PRAM:Overall Contribution of the Different Components
          --------------------------------------------------------



          Single Excitation Contribution :              84.8480 %

          Double Excitation Contribution :              15.1520 %

          ||T1||/||T2||                  :               2.3664

          Norm of Total Amplitude Vector :               1.0000


 +=============================================================================+
 | symmetry|  orbital index  |   Excitation Numbers             |   Amplitude  |
 |  Index  |   a   b   i   j |      NAI      NBJ |     NAIBJ    |              |
 +=============================================================================+
 | 1   6   |   1       1     |       53          |              |    0.903368  |
 +-----------------------------------------------------------------------------+
 | 5 2 1 1 |   6   7   1   3 |        6       21 |         1926 |    0.201828  |
 | 6 2 2 1 |   2   4   1   2 |       44       11 |         1004 |    0.174930  |
 | 5 1 2 1 |   2   5   1   3 |       23       31 |         8591 |   -0.160310  |
 | 2 1 5 1 |   5   4   2   3 |       50       30 |         8550 |    0.101478  |
 +=============================================================================+


          Norm of Printed Amplitude Vector :             0.9609

          Printed all single excitations greater than 0.184226

          Printed all double excitations greater than 0.077851
 Vector nr. 31 of symmetry  6 found on file - RESTART SUCCESS
 Start vector is a CC3       RE  vector
 Vector nr. 32 of symmetry  6 found on file - RESTART SUCCESS
 Start vector is a CC3       RE  vector
 Vector nr. 33 of symmetry  6 found on file - RESTART SUCCESS
 Start vector is a CC3       RE  vector


 CC3        excitation energies with Omega=   0.888769
 =====================================================
 (conversion factor used: 1 au = 27.2113957 eV)

 Excitation no.       Hartree               eV
 --------------       -------               --

         1            0.079276            2.157199
         2            0.467516           12.721752
         3            0.888786           24.185085

 Converged root to diff. -0.000016  for root   3 in   2 iterations



 Total excited state energies for states of symmetry/spin   6  1
 Excitation no.       Energy (Hartree) 
 ------------------------------------- 
@@@    6    3          -198.416727051147262


 Analysis of the Coupled Cluster Excitation Vector Number :  1
 -------------------------------------------------------------

          Excitation Energy :                             2.1572 eV


          CC_PRAM:Overall Contribution of the Different Components
          --------------------------------------------------------



          Single Excitation Contribution :              66.0428 %

          Double Excitation Contribution :              33.9572 %

          ||T1||/||T2||                  :               1.3946

          Norm of Total Amplitude Vector :               1.0000


 +=============================================================================+
 | symmetry|  orbital index  |   Excitation Numbers             |   Amplitude  |
 |  Index  |   a   b   i   j |      NAI      NBJ |     NAIBJ    |              |
 +=============================================================================+
 | 5   2   |   1       1     |       22          |              |    0.809069  |
 +-----------------------------------------------------------------------------+
 | 5 2 1 1 |   8   7   3   3 |       36       21 |         1956 |    0.561636  |
 +=============================================================================+


          Norm of Printed Amplitude Vector :             0.9849

          Printed all single excitations greater than 0.162533

          Printed all double excitations greater than 0.116546


 Analysis of the Coupled Cluster Excitation Vector Number :  2
 -------------------------------------------------------------

          Excitation Energy :                            12.7218 eV


          CC_PRAM:Overall Contribution of the Different Components
          --------------------------------------------------------



          Single Excitation Contribution :              29.4439 %

          Double Excitation Contribution :              70.5561 %

          ||T1||/||T2||                  :               0.6460

          Norm of Total Amplitude Vector :               1.0000


 +=============================================================================+
 | symmetry|  orbital index  |   Excitation Numbers             |   Amplitude  |
 |  Index  |   a   b   i   j |      NAI      NBJ |     NAIBJ    |              |
 +=============================================================================+
 | 5   2   |   1       1     |       22          |              |    0.528516  |
 +-----------------------------------------------------------------------------+
 | 5 2 1 1 |   8   7   3   3 |       36       21 |         1956 |   -0.804064  |
 +=============================================================================+


          Norm of Printed Amplitude Vector :             0.9622

          Printed all single excitations greater than 0.108525

          Printed all double excitations greater than 0.167995


 Analysis of the Coupled Cluster Excitation Vector Number :  3
 -------------------------------------------------------------

          Excitation Energy :                            24.1851 eV


          CC_PRAM:Overall Contribution of the Different Components
          --------------------------------------------------------



          Single Excitation Contribution :              84.8862 %

          Double Excitation Contribution :              15.1138 %

          ||T1||/||T2||                  :               2.3699

          Norm of Total Amplitude Vector :               1.0000


 +=============================================================================+
 | symmetry|  orbital index  |   Excitation Numbers             |   Amplitude  |
 |  Index  |   a   b   i   j |      NAI      NBJ |     NAIBJ    |              |
 +=============================================================================+
 | 1   6   |   1       1     |       53          |              |    0.903553  |
 +-----------------------------------------------------------------------------+
 | 5 2 1 1 |   6   7   1   3 |        6       21 |         1926 |    0.201647  |
 | 6 2 2 1 |   2   4   1   2 |       44       11 |         1004 |    0.174562  |
 | 5 1 2 1 |   2   5   1   3 |       23       31 |         8591 |   -0.159916  |
 | 2 1 5 1 |   5   4   2   3 |       50       30 |         8550 |    0.101382  |
 +=============================================================================+


          Norm of Printed Amplitude Vector :             0.9609

          Printed all single excitations greater than 0.184267

          Printed all double excitations greater than 0.077753
 Vector nr. 31 of symmetry  6 found on file - RESTART SUCCESS
 Start vector is a CC3       RE  vector
 Vector nr. 32 of symmetry  6 found on file - RESTART SUCCESS
 Start vector is a CC3       RE  vector


 CC3        excitation energies with Omega=   0.467516
 =====================================================
 (conversion factor used: 1 au = 27.2113957 eV)

 Excitation no.       Hartree               eV
 --------------       -------               --

         1            0.083138            2.262292
         2            0.480760           13.082141
 Vector nr. 31 of symmetry  6 found on file - RESTART SUCCESS
 Start vector is a CC3       RE  vector
 Vector nr. 32 of symmetry  6 found on file - RESTART SUCCESS
 Start vector is a CC3       RE  vector


 CC3        excitation energies with Omega=   0.480760
 =====================================================
 (conversion factor used: 1 au = 27.2113957 eV)

 Excitation no.       Hartree               eV
 --------------       -------               --

         1            0.083027            2.259276
         2            0.480395           13.072207
 Vector nr. 31 of symmetry  6 found on file - RESTART SUCCESS
 Start vector is a CC3       RE  vector
 Vector nr. 32 of symmetry  6 found on file - RESTART SUCCESS
 Start vector is a CC3       RE  vector


 CC3        excitation energies with Omega=   0.480395
 =====================================================
 (conversion factor used: 1 au = 27.2113957 eV)

 Excitation no.       Hartree               eV
 --------------       -------               --

         1            0.083030            2.259359
         2            0.480405           13.072487

 Converged root to diff. -0.000010  for root   2 in   4 iterations



 Total excited state energies for states of symmetry/spin   6  1
 Excitation no.       Energy (Hartree) 
 ------------------------------------- 
@@@    6    2          -198.825107536747055


 Analysis of the Coupled Cluster Excitation Vector Number :  1
 -------------------------------------------------------------

          Excitation Energy :                             2.2594 eV


          CC_PRAM:Overall Contribution of the Different Components
          --------------------------------------------------------



          Single Excitation Contribution :              67.5800 %

          Double Excitation Contribution :              32.4200 %

          ||T1||/||T2||                  :               1.4438

          Norm of Total Amplitude Vector :               1.0000


 +=============================================================================+
 | symmetry|  orbital index  |   Excitation Numbers             |   Amplitude  |
 |  Index  |   a   b   i   j |      NAI      NBJ |     NAIBJ    |              |
 +=============================================================================+
 | 5   2   |   1       1     |       22          |              |    0.818493  |
 +-----------------------------------------------------------------------------+
 | 5 2 1 1 |   8   7   3   3 |       36       21 |         1956 |    0.547927  |
 +=============================================================================+


          Norm of Printed Amplitude Vector :             0.9850

          Printed all single excitations greater than 0.164414

          Printed all double excitations greater than 0.113877


 Analysis of the Coupled Cluster Excitation Vector Number :  2
 -------------------------------------------------------------

          Excitation Energy :                            13.0725 eV


          CC_PRAM:Overall Contribution of the Different Components
          --------------------------------------------------------



          Single Excitation Contribution :              28.5775 %

          Double Excitation Contribution :              71.4225 %

          ||T1||/||T2||                  :               0.6326

          Norm of Total Amplitude Vector :               1.0000


 +=============================================================================+
 | symmetry|  orbital index  |   Excitation Numbers             |   Amplitude  |
 |  Index  |   a   b   i   j |      NAI      NBJ |     NAIBJ    |              |
 +=============================================================================+
 | 5   2   |   1       1     |       22          |              |    0.519538  |
 +-----------------------------------------------------------------------------+
 | 5 2 1 1 |   8   7   3   3 |       36       21 |         1956 |   -0.808036  |
 +=============================================================================+


          Norm of Printed Amplitude Vector :             0.9606

          Printed all single excitations greater than 0.106916

          Printed all double excitations greater than 0.169024
 Vector nr. 31 of symmetry  6 found on file - RESTART SUCCESS
 Start vector is a CC3       RE  vector


 CC3        excitation energies with Omega=   0.083030
 =====================================================
 (conversion factor used: 1 au = 27.2113957 eV)

 Excitation no.       Hartree               eV
 --------------       -------               --

         1            0.086061            2.341839
 Vector nr. 31 of symmetry  6 found on file - RESTART SUCCESS
 Start vector is a CC3       RE  vector


 CC3        excitation energies with Omega=   0.086061
 =====================================================
 (conversion factor used: 1 au = 27.2113957 eV)

 Excitation no.       Hartree               eV
 --------------       -------               --

         1            0.086040            2.341263

 Converged root to diff.  0.000021  for root   1 in   3 iterations



 Total excited state energies for states of symmetry/spin   6  1
 Excitation no.       Energy (Hartree) 
 ------------------------------------- 
@@@    6    1          -199.219472768908673


 Analysis of the Coupled Cluster Excitation Vector Number :  1
 -------------------------------------------------------------

          Excitation Energy :                             2.3413 eV


          CC_PRAM:Overall Contribution of the Different Components
          --------------------------------------------------------



          Single Excitation Contribution :              68.7116 %

          Double Excitation Contribution :              31.2884 %

          ||T1||/||T2||                  :               1.4819

          Norm of Total Amplitude Vector :               1.0000


 +=============================================================================+
 | symmetry|  orbital index  |   Excitation Numbers             |   Amplitude  |
 |  Index  |   a   b   i   j |      NAI      NBJ |     NAIBJ    |              |
 +=============================================================================+
 | 5   2   |   1       1     |       22          |              |    0.825359  |
 +-----------------------------------------------------------------------------+
 | 5 2 1 1 |   8   7   3   3 |       36       21 |         1956 |    0.537613  |
 +=============================================================================+


          Norm of Printed Amplitude Vector :             0.9850

          Printed all single excitations greater than 0.165785

          Printed all double excitations greater than 0.111872


 *******************************************************************************

 --------------------------
 Symmetry class Nr.:     6
 Multiplicity      :     3
 --------------------------

 Length of Excitation vectors in this class is:     37740
 Converging for  3 roots.
 Vector nr. 34 of symmetry  6 found on file - RESTART SUCCESS
 Start vector is a CCSD      RE  vector
 Vector nr. 35 of symmetry  6 found on file - RESTART SUCCESS
 Start vector is a CCSD      RE  vector
 Vector nr. 36 of symmetry  6 found on file - RESTART SUCCESS
 Start vector is a CCSD      RE  vector


 SYMMETRY CLASS NR.    6
 MULTIPLICITY          3


 CC3        excitation energies with Omega=   0.865320
 =====================================================
 (conversion factor used: 1 au = 27.2113957 eV)

 Excitation no.       Hartree               eV 
 --------------       -------               --
         1            0.0759563495        2.0668774105
         2            0.3758773601       10.2281432608
         3            0.8595578376       23.3897585694


 Total excited state energies for states of symmetry/spin    6    3
 Excitation no.       Energy (Hartree) 
 ------------------------------------- 
@@    6    1          -199.229556265218065
@@    6    2          -198.929635254684825
@@    6    3          -198.445954777166435


 Analysis of the Coupled Cluster Excitation Vector Number :  1
 -------------------------------------------------------------

          Excitation Energy :                             2.0669 eV


     CC_PRAM:Overall Contribution of the Different Components
     --------------------------------------------------------



     Single Excitation Contribution      :         91.1973 %

     Double Excitation Contribution (+/-):          0.1047 %    /    8.6980 % 

     ||T1||/||T2||                       :          3.2187

     Norm of Total Amplitude Vector :          1.0000


 +=============================================================================+
 | symmetry|  orbital index  |   Excitation Numbers             |   Amplitude  |
 |  Index  |   a   b   i   j |      NAI      NBJ |     NAIBJ    |              |
 +=============================================================================+
 | 5   2   |   1       1     |       22          |              |    0.949489  |
 +-----------------------------------------------------------------------------+
 | 5 2 1 1 |   8   7   3   3 |       36       21 | (-)     1956 |    0.282770  |
 +=============================================================================+


          Norm of Printed Amplitude Vector :             0.9907


          Printed all single excitations greater than  0.190995


          Printed all double excitations greater than  0.059339


 Analysis of the Coupled Cluster Excitation Vector Number :  2
 -------------------------------------------------------------

          Excitation Energy :                            10.2281 eV


     CC_PRAM:Overall Contribution of the Different Components
     --------------------------------------------------------



     Single Excitation Contribution      :         53.9672 %

     Double Excitation Contribution (+/-):          1.3476 %    /   44.6852 % 

     ||T1||/||T2||                       :          1.0828

     Norm of Total Amplitude Vector :          1.0000


 +=============================================================================+
 | symmetry|  orbital index  |   Excitation Numbers             |   Amplitude  |
 |  Index  |   a   b   i   j |      NAI      NBJ |     NAIBJ    |              |
 +=============================================================================+
 | 1   6   |   2       1     |       54          |              |   -0.154317  |
 | 5   2   |   1       1     |       22          |              |    0.707567  |
 +-----------------------------------------------------------------------------+
 | 5 2 1 1 |   8   7   3   3 |       36       21 | (-)     1956 |   -0.641807  |
 +=============================================================================+


          Norm of Printed Amplitude Vector :             0.9677


          Printed all single excitations greater than  0.146925


          Printed all double excitations greater than  0.135695


 Analysis of the Coupled Cluster Excitation Vector Number :  3
 -------------------------------------------------------------

          Excitation Energy :                            23.3898 eV


     CC_PRAM:Overall Contribution of the Different Components
     --------------------------------------------------------



     Single Excitation Contribution      :         96.1757 %

     Double Excitation Contribution (+/-):          0.5038 %    /    3.3204 % 

     ||T1||/||T2||                       :          5.0149

     Norm of Total Amplitude Vector :          1.0000


 +=============================================================================+
 | symmetry|  orbital index  |   Excitation Numbers             |   Amplitude  |
 |  Index  |   a   b   i   j |      NAI      NBJ |     NAIBJ    |              |
 +=============================================================================+
 | 1   6   |   1       1     |       53          |              |    0.932034  |
 | 5   2   |   2       1     |       23          |              |    0.288001  |
 +-----------------------------------------------------------------------------+
 | 5 2 1 1 |   6   7   1   3 |        6       21 | (-)     1926 |    0.092125  |
 | 6 2 2 1 |   2   4   1   2 |       44       11 | (-)     1004 |    0.055739  |
 | 5 1 1 2 |   8   1   1   1 |        8       22 | (-)     2024 |   -0.059808  |
 | 5 1 2 1 |   2   5   1   3 |       23       31 | (-)     8591 |    0.042682  |
 | 2 1 5 1 |   5   4   2   3 |       50       30 | (+)     8550 |   -0.048766  |
 | 2 1 5 1 |   5   4   2   3 |       50       30 | (-)     8550 |    0.082181  |
 +=============================================================================+


          Norm of Printed Amplitude Vector :             0.9888


          Printed all single excitations greater than  0.196138


          Printed all double excitations greater than  0.039111
 Vector nr. 34 of symmetry  6 found on file - RESTART SUCCESS
 Start vector is a CC3       RE  vector
 Vector nr. 35 of symmetry  6 found on file - RESTART SUCCESS
 Start vector is a CC3       RE  vector
 Vector nr. 36 of symmetry  6 found on file - RESTART SUCCESS
 Start vector is a CC3       RE  vector


 CC3        excitation energies with Omega=   0.859558
 =====================================================
 (conversion factor used: 1 au = 27.2113957 eV)

 Excitation no.       Hartree               eV
 --------------       -------               --

         1            0.076000            2.068055
         2            0.376104           10.234318
         3            0.859565           23.389955

 Converged root to diff. -0.000007  for root   3 in   2 iterations



 Total excited state energies for states of symmetry/spin   6  3
 Excitation no.       Energy (Hartree) 
 ------------------------------------- 
@@@    6    3          -198.445947560732606


 Analysis of the Coupled Cluster Excitation Vector Number :  1
 -------------------------------------------------------------

          Excitation Energy :                             2.0681 eV


     CC_PRAM:Overall Contribution of the Different Components
     --------------------------------------------------------



     Single Excitation Contribution      :         91.2082 %

     Double Excitation Contribution (+/-):          0.1047 %    /    8.6871 % 

     ||T1||/||T2||                       :          3.2209

     Norm of Total Amplitude Vector :          1.0000


 +=============================================================================+
 | symmetry|  orbital index  |   Excitation Numbers             |   Amplitude  |
 |  Index  |   a   b   i   j |      NAI      NBJ |     NAIBJ    |              |
 +=============================================================================+
 | 5   2   |   1       1     |       22          |              |    0.949547  |
 +-----------------------------------------------------------------------------+
 | 5 2 1 1 |   8   7   3   3 |       36       21 | (-)     1956 |    0.282578  |
 +=============================================================================+


          Norm of Printed Amplitude Vector :             0.9907


          Printed all single excitations greater than  0.191006


          Printed all double excitations greater than  0.059302


 Analysis of the Coupled Cluster Excitation Vector Number :  2
 -------------------------------------------------------------

          Excitation Energy :                            10.2343 eV


     CC_PRAM:Overall Contribution of the Different Components
     --------------------------------------------------------



     Single Excitation Contribution      :         53.9465 %

     Double Excitation Contribution (+/-):          1.3483 %    /   44.7053 % 

     ||T1||/||T2||                       :          1.0823

     Norm of Total Amplitude Vector :          1.0000


 +=============================================================================+
 | symmetry|  orbital index  |   Excitation Numbers             |   Amplitude  |
 |  Index  |   a   b   i   j |      NAI      NBJ |     NAIBJ    |              |
 +=============================================================================+
 | 1   6   |   2       1     |       54          |              |   -0.154406  |
 | 5   2   |   1       1     |       22          |              |    0.707395  |
 +-----------------------------------------------------------------------------+
 | 5 2 1 1 |   8   7   3   3 |       36       21 | (-)     1956 |   -0.641943  |
 +=============================================================================+


          Norm of Printed Amplitude Vector :             0.9676


          Printed all single excitations greater than  0.146896


          Printed all double excitations greater than  0.135726


 Analysis of the Coupled Cluster Excitation Vector Number :  3
 -------------------------------------------------------------

          Excitation Energy :                            23.3900 eV


     CC_PRAM:Overall Contribution of the Different Components
     --------------------------------------------------------



     Single Excitation Contribution      :         96.1779 %

     Double Excitation Contribution (+/-):          0.5034 %    /    3.3187 % 

     ||T1||/||T2||                       :          5.0163

     Norm of Total Amplitude Vector :          1.0000


 +=============================================================================+
 | symmetry|  orbital index  |   Excitation Numbers             |   Amplitude  |
 |  Index  |   a   b   i   j |      NAI      NBJ |     NAIBJ    |              |
 +=============================================================================+
 | 1   6   |   1       1     |       53          |              |    0.932062  |
 | 5   2   |   2       1     |       23          |              |    0.287949  |
 +-----------------------------------------------------------------------------+
 | 5 2 1 1 |   6   7   1   3 |        6       21 | (-)     1926 |    0.092089  |
 | 6 2 2 1 |   2   4   1   2 |       44       11 | (-)     1004 |    0.055729  |
 | 5 1 1 2 |   8   1   1   1 |        8       22 | (-)     2024 |   -0.059799  |
 | 5 1 2 1 |   2   5   1   3 |       23       31 | (-)     8591 |    0.042673  |
 | 2 1 5 1 |   5   4   2   3 |       50       30 | (+)     8550 |   -0.048739  |
 | 2 1 5 1 |   5   4   2   3 |       50       30 | (-)     8550 |    0.082163  |
 +=============================================================================+


          Norm of Printed Amplitude Vector :             0.9888


          Printed all single excitations greater than  0.196141


          Printed all double excitations greater than  0.039100
 Vector nr. 34 of symmetry  6 found on file - RESTART SUCCESS
 Start vector is a CC3       RE  vector
 Vector nr. 35 of symmetry  6 found on file - RESTART SUCCESS
 Start vector is a CC3       RE  vector


 CC3        excitation energies with Omega=   0.376104
 =====================================================
 (conversion factor used: 1 au = 27.2113957 eV)

 Excitation no.       Hartree               eV
 --------------       -------               --

         1            0.079396            2.160469
         2            0.392368           10.676879
 Vector nr. 34 of symmetry  6 found on file - RESTART SUCCESS
 Start vector is a CC3       RE  vector
 Vector nr. 35 of symmetry  6 found on file - RESTART SUCCESS
 Start vector is a CC3       RE  vector


 CC3        excitation energies with Omega=   0.392368
 =====================================================
 (conversion factor used: 1 au = 27.2113957 eV)

 Excitation no.       Hartree               eV
 --------------       -------               --

         1            0.079293            2.157661
         2            0.391896           10.664040
 Vector nr. 34 of symmetry  6 found on file - RESTART SUCCESS
 Start vector is a CC3       RE  vector
 Vector nr. 35 of symmetry  6 found on file - RESTART SUCCESS
 Start vector is a CC3       RE  vector


 CC3        excitation energies with Omega=   0.391896
 =====================================================
 (conversion factor used: 1 au = 27.2113957 eV)

 Excitation no.       Hartree               eV
 --------------       -------               --

         1            0.079295            2.157714
         2            0.391909           10.664399

 Converged root to diff. -0.000013  for root   2 in   4 iterations



 Total excited state energies for states of symmetry/spin   6  3
 Excitation no.       Energy (Hartree) 
 ------------------------------------- 
@@@    6    2          -198.913603134350012


 Analysis of the Coupled Cluster Excitation Vector Number :  1
 -------------------------------------------------------------

          Excitation Energy :                             2.1577 eV


     CC_PRAM:Overall Contribution of the Different Components
     --------------------------------------------------------



     Single Excitation Contribution      :         91.9075 %

     Double Excitation Contribution (+/-):          0.1050 %    /    7.9876 % 

     ||T1||/||T2||                       :          3.3700

     Norm of Total Amplitude Vector :          1.0000


 +=============================================================================+
 | symmetry|  orbital index  |   Excitation Numbers             |   Amplitude  |
 |  Index  |   a   b   i   j |      NAI      NBJ |     NAIBJ    |              |
 +=============================================================================+
 | 5   2   |   1       1     |       22          |              |    0.953238  |
 +-----------------------------------------------------------------------------+
 | 5 2 1 1 |   8   7   3   3 |       36       21 | (-)     1956 |    0.270167  |
 +=============================================================================+


          Norm of Printed Amplitude Vector :             0.9908


          Printed all single excitations greater than  0.191737


          Printed all double excitations greater than  0.056895


 Analysis of the Coupled Cluster Excitation Vector Number :  2
 -------------------------------------------------------------

          Excitation Energy :                            10.6644 eV


     CC_PRAM:Overall Contribution of the Different Components
     --------------------------------------------------------



     Single Excitation Contribution      :         52.6001 %

     Double Excitation Contribution (+/-):          1.3813 %    /   46.0187 % 

     ||T1||/||T2||                       :          1.0534

     Norm of Total Amplitude Vector :          1.0000


 +=============================================================================+
 | symmetry|  orbital index  |   Excitation Numbers             |   Amplitude  |
 |  Index  |   a   b   i   j |      NAI      NBJ |     NAIBJ    |              |
 +=============================================================================+
 | 1   6   |   2       1     |       54          |              |   -0.161049  |
 | 5   2   |   1       1     |       22          |              |    0.695694  |
 +-----------------------------------------------------------------------------+
 | 5 2 1 1 |   8   7   3   3 |       36       21 | (-)     1956 |   -0.650519  |
 +=============================================================================+


          Norm of Printed Amplitude Vector :             0.9660


          Printed all single excitations greater than  0.145052


          Printed all double excitations greater than  0.137695
 Vector nr. 34 of symmetry  6 found on file - RESTART SUCCESS
 Start vector is a CC3       RE  vector


 CC3        excitation energies with Omega=   0.079295
 =====================================================
 (conversion factor used: 1 au = 27.2113957 eV)

 Excitation no.       Hartree               eV
 --------------       -------               --

         1            0.081138            2.207868
 Vector nr. 34 of symmetry  6 found on file - RESTART SUCCESS
 Start vector is a CC3       RE  vector


 CC3        excitation energies with Omega=   0.081138
 =====================================================
 (conversion factor used: 1 au = 27.2113957 eV)

 Excitation no.       Hartree               eV
 --------------       -------               --

         1            0.081137            2.207856

 Converged root to diff.  0.000000  for root   1 in   3 iterations



 Total excited state energies for states of symmetry/spin   6  3
 Excitation no.       Energy (Hartree) 
 ------------------------------------- 
@@@    6    1          -199.224375384970017


 Analysis of the Coupled Cluster Excitation Vector Number :  1
 -------------------------------------------------------------

          Excitation Energy :                             2.2079 eV


     CC_PRAM:Overall Contribution of the Different Components
     --------------------------------------------------------



     Single Excitation Contribution      :         92.2455 %

     Double Excitation Contribution (+/-):          0.1052 %    /    7.6493 % 

     ||T1||/||T2||                       :          3.4490

     Norm of Total Amplitude Vector :          1.0000


 +=============================================================================+
 | symmetry|  orbital index  |   Excitation Numbers             |   Amplitude  |
 |  Index  |   a   b   i   j |      NAI      NBJ |     NAIBJ    |              |
 +=============================================================================+
 | 5   2   |   1       1     |       22          |              |    0.955012  |
 +-----------------------------------------------------------------------------+
 | 5 2 1 1 |   8   7   3   3 |       36       21 | (-)     1956 |    0.263956  |
 +=============================================================================+


          Norm of Printed Amplitude Vector :             0.9908


          Printed all single excitations greater than  0.192089


          Printed all double excitations greater than  0.055694


 *******************************************************************************

 --------------------------
 Symmetry class Nr.:     7
 Multiplicity      :     1
 --------------------------

 Length of Excitation vectors in this class is:     18904
 Converging for  3 roots.
 Vector nr. 37 of symmetry  7 found on file - RESTART SUCCESS
 Start vector is a CCSD      RE  vector
 Vector nr. 38 of symmetry  7 found on file - RESTART SUCCESS
 Start vector is a CCSD      RE  vector
 Vector nr. 39 of symmetry  7 found on file - RESTART SUCCESS
 Start vector is a CCSD      RE  vector


 SYMMETRY CLASS NR.    7
 MULTIPLICITY          1


 CC3        excitation energies with Omega=   0.895107
 =====================================================
 (conversion factor used: 1 au = 27.2113957 eV)

 Excitation no.       Hartree               eV 
 --------------       -------               --
         1            0.0792093064        2.1553948706
         2            0.4672884306       12.7155650216
         3            0.8887692341       24.1846411039


 Total excited state energies for states of symmetry/spin    7    1
 Excitation no.       Energy (Hartree) 
 ------------------------------------- 
@@    7    1          -199.226303308317654
@@    7    2          -198.838224184169832
@@    7    3          -198.416743380629754


 Analysis of the Coupled Cluster Excitation Vector Number :  1
 -------------------------------------------------------------

          Excitation Energy :                             2.1554 eV


          CC_PRAM:Overall Contribution of the Different Components
          --------------------------------------------------------



          Single Excitation Contribution :              66.0151 %

          Double Excitation Contribution :              33.9849 %

          ||T1||/||T2||                  :               1.3937

          Norm of Total Amplitude Vector :               1.0000


 +=============================================================================+
 | symmetry|  orbital index  |   Excitation Numbers             |   Amplitude  |
 |  Index  |   a   b   i   j |      NAI      NBJ |     NAIBJ    |              |
 +=============================================================================+
 | 5   3   |   1       1     |       25          |              |    0.808899  |
 +-----------------------------------------------------------------------------+
 | 5 3 1 1 |  11   7   3   3 |       39       21 |         1959 |    0.561881  |
 +=============================================================================+


          Norm of Printed Amplitude Vector :             0.9849

          Printed all single excitations greater than 0.162499

          Printed all double excitations greater than 0.116593


 Analysis of the Coupled Cluster Excitation Vector Number :  2
 -------------------------------------------------------------

          Excitation Energy :                            12.7156 eV


          CC_PRAM:Overall Contribution of the Different Components
          --------------------------------------------------------



          Single Excitation Contribution :              29.4595 %

          Double Excitation Contribution :              70.5405 %

          ||T1||/||T2||                  :               0.6462

          Norm of Total Amplitude Vector :               1.0000


 +=============================================================================+
 | symmetry|  orbital index  |   Excitation Numbers             |   Amplitude  |
 |  Index  |   a   b   i   j |      NAI      NBJ |     NAIBJ    |              |
 +=============================================================================+
 | 5   3   |   1       1     |       25          |              |    0.528675  |
 +-----------------------------------------------------------------------------+
 | 5 3 1 1 |  11   7   3   3 |       39       21 |         1959 |   -0.803988  |
 +=============================================================================+


          Norm of Printed Amplitude Vector :             0.9622

          Printed all single excitations greater than 0.108553

          Printed all double excitations greater than 0.167977


 Analysis of the Coupled Cluster Excitation Vector Number :  3
 -------------------------------------------------------------

          Excitation Energy :                            24.1846 eV


          CC_PRAM:Overall Contribution of the Different Components
          --------------------------------------------------------



          Single Excitation Contribution :              84.8480 %

          Double Excitation Contribution :              15.1520 %

          ||T1||/||T2||                  :               2.3664

          Norm of Total Amplitude Vector :               1.0000


 +=============================================================================+
 | symmetry|  orbital index  |   Excitation Numbers             |   Amplitude  |
 |  Index  |   a   b   i   j |      NAI      NBJ |     NAIBJ    |              |
 +=============================================================================+
 | 1   7   |   1       1     |       56          |              |    0.903368  |
 +-----------------------------------------------------------------------------+
 | 5 3 1 1 |   9   7   1   3 |        9       21 |         1929 |    0.201828  |
 | 6 3 2 1 |   5   4   1   2 |       47       11 |         1007 |    0.174930  |
 | 5 1 3 1 |  12   9   1   3 |       36       35 |        11800 |   -0.160310  |
 | 1 1 7 1 |   8   8   1   3 |       63       34 |        11759 |    0.101478  |
 +=============================================================================+


          Norm of Printed Amplitude Vector :             0.9609

          Printed all single excitations greater than 0.184226

          Printed all double excitations greater than 0.077851
 Vector nr. 37 of symmetry  7 found on file - RESTART SUCCESS
 Start vector is a CC3       RE  vector
 Vector nr. 38 of symmetry  7 found on file - RESTART SUCCESS
 Start vector is a CC3       RE  vector
 Vector nr. 39 of symmetry  7 found on file - RESTART SUCCESS
 Start vector is a CC3       RE  vector


 CC3        excitation energies with Omega=   0.888769
 =====================================================
 (conversion factor used: 1 au = 27.2113957 eV)

 Excitation no.       Hartree               eV
 --------------       -------               --

         1            0.079276            2.157199
         2            0.467516           12.721752
         3            0.888786           24.185085

 Converged root to diff. -0.000016  for root   3 in   2 iterations



 Total excited state energies for states of symmetry/spin   7  1
 Excitation no.       Energy (Hartree) 
 ------------------------------------- 
@@@    7    3          -198.416727051147234


 Analysis of the Coupled Cluster Excitation Vector Number :  1
 -------------------------------------------------------------

          Excitation Energy :                             2.1572 eV


          CC_PRAM:Overall Contribution of the Different Components
          --------------------------------------------------------



          Single Excitation Contribution :              66.0428 %

          Double Excitation Contribution :              33.9572 %

          ||T1||/||T2||                  :               1.3946

          Norm of Total Amplitude Vector :               1.0000


 +=============================================================================+
 | symmetry|  orbital index  |   Excitation Numbers             |   Amplitude  |
 |  Index  |   a   b   i   j |      NAI      NBJ |     NAIBJ    |              |
 +=============================================================================+
 | 5   3   |   1       1     |       25          |              |    0.809069  |
 +-----------------------------------------------------------------------------+
 | 5 3 1 1 |  11   7   3   3 |       39       21 |         1959 |    0.561636  |
 +=============================================================================+


          Norm of Printed Amplitude Vector :             0.9849

          Printed all single excitations greater than 0.162533

          Printed all double excitations greater than 0.116546


 Analysis of the Coupled Cluster Excitation Vector Number :  2
 -------------------------------------------------------------

          Excitation Energy :                            12.7218 eV


          CC_PRAM:Overall Contribution of the Different Components
          --------------------------------------------------------



          Single Excitation Contribution :              29.4439 %

          Double Excitation Contribution :              70.5561 %

          ||T1||/||T2||                  :               0.6460

          Norm of Total Amplitude Vector :               1.0000


 +=============================================================================+
 | symmetry|  orbital index  |   Excitation Numbers             |   Amplitude  |
 |  Index  |   a   b   i   j |      NAI      NBJ |     NAIBJ    |              |
 +=============================================================================+
 | 5   3   |   1       1     |       25          |              |    0.528516  |
 +-----------------------------------------------------------------------------+
 | 5 3 1 1 |  11   7   3   3 |       39       21 |         1959 |   -0.804064  |
 +=============================================================================+


          Norm of Printed Amplitude Vector :             0.9622

          Printed all single excitations greater than 0.108525

          Printed all double excitations greater than 0.167995


 Analysis of the Coupled Cluster Excitation Vector Number :  3
 -------------------------------------------------------------

          Excitation Energy :                            24.1851 eV


          CC_PRAM:Overall Contribution of the Different Components
          --------------------------------------------------------



          Single Excitation Contribution :              84.8862 %

          Double Excitation Contribution :              15.1138 %

          ||T1||/||T2||                  :               2.3699

          Norm of Total Amplitude Vector :               1.0000


 +=============================================================================+
 | symmetry|  orbital index  |   Excitation Numbers             |   Amplitude  |
 |  Index  |   a   b   i   j |      NAI      NBJ |     NAIBJ    |              |
 +=============================================================================+
 | 1   7   |   1       1     |       56          |              |    0.903553  |
 +-----------------------------------------------------------------------------+
 | 5 3 1 1 |   9   7   1   3 |        9       21 |         1929 |    0.201647  |
 | 6 3 2 1 |   5   4   1   2 |       47       11 |         1007 |    0.174562  |
 | 5 1 3 1 |  12   9   1   3 |       36       35 |        11800 |   -0.159916  |
 | 1 1 7 1 |   8   8   1   3 |       63       34 |        11759 |    0.101382  |
 +=============================================================================+


          Norm of Printed Amplitude Vector :             0.9609

          Printed all single excitations greater than 0.184267

          Printed all double excitations greater than 0.077753
 Vector nr. 37 of symmetry  7 found on file - RESTART SUCCESS
 Start vector is a CC3       RE  vector
 Vector nr. 38 of symmetry  7 found on file - RESTART SUCCESS
 Start vector is a CC3       RE  vector


 CC3        excitation energies with Omega=   0.467516
 =====================================================
 (conversion factor used: 1 au = 27.2113957 eV)

 Excitation no.       Hartree               eV
 --------------       -------               --

         1            0.083138            2.262292
         2            0.480760           13.082141
 Vector nr. 37 of symmetry  7 found on file - RESTART SUCCESS
 Start vector is a CC3       RE  vector
 Vector nr. 38 of symmetry  7 found on file - RESTART SUCCESS
 Start vector is a CC3       RE  vector


 CC3        excitation energies with Omega=   0.480760
 =====================================================
 (conversion factor used: 1 au = 27.2113957 eV)

 Excitation no.       Hartree               eV
 --------------       -------               --

         1            0.083027            2.259276
         2            0.480395           13.072207
 Vector nr. 37 of symmetry  7 found on file - RESTART SUCCESS
 Start vector is a CC3       RE  vector
 Vector nr. 38 of symmetry  7 found on file - RESTART SUCCESS
 Start vector is a CC3       RE  vector


 CC3        excitation energies with Omega=   0.480395
 =====================================================
 (conversion factor used: 1 au = 27.2113957 eV)

 Excitation no.       Hartree               eV
 --------------       -------               --

         1            0.083030            2.259359
         2            0.480405           13.072487

 Converged root to diff. -0.000010  for root   2 in   4 iterations



 Total excited state energies for states of symmetry/spin   7  1
 Excitation no.       Energy (Hartree) 
 ------------------------------------- 
@@@    7    2          -198.825107536747026


 Analysis of the Coupled Cluster Excitation Vector Number :  1
 -------------------------------------------------------------

          Excitation Energy :                             2.2594 eV


          CC_PRAM:Overall Contribution of the Different Components
          --------------------------------------------------------



          Single Excitation Contribution :              67.5800 %

          Double Excitation Contribution :              32.4200 %

          ||T1||/||T2||                  :               1.4438

          Norm of Total Amplitude Vector :               1.0000


 +=============================================================================+
 | symmetry|  orbital index  |   Excitation Numbers             |   Amplitude  |
 |  Index  |   a   b   i   j |      NAI      NBJ |     NAIBJ    |              |
 +=============================================================================+
 | 5   3   |   1       1     |       25          |              |    0.818493  |
 +-----------------------------------------------------------------------------+
 | 5 3 1 1 |  11   7   3   3 |       39       21 |         1959 |    0.547927  |
 +=============================================================================+


          Norm of Printed Amplitude Vector :             0.9850

          Printed all single excitations greater than 0.164414

          Printed all double excitations greater than 0.113877


 Analysis of the Coupled Cluster Excitation Vector Number :  2
 -------------------------------------------------------------

          Excitation Energy :                            13.0725 eV


          CC_PRAM:Overall Contribution of the Different Components
          --------------------------------------------------------



          Single Excitation Contribution :              28.5775 %

          Double Excitation Contribution :              71.4225 %

          ||T1||/||T2||                  :               0.6326

          Norm of Total Amplitude Vector :               1.0000


 +=============================================================================+
 | symmetry|  orbital index  |   Excitation Numbers             |   Amplitude  |
 |  Index  |   a   b   i   j |      NAI      NBJ |     NAIBJ    |              |
 +=============================================================================+
 | 5   3   |   1       1     |       25          |              |    0.519538  |
 +-----------------------------------------------------------------------------+
 | 5 3 1 1 |  11   7   3   3 |       39       21 |         1959 |   -0.808036  |
 +=============================================================================+


          Norm of Printed Amplitude Vector :             0.9606

          Printed all single excitations greater than 0.106916

          Printed all double excitations greater than 0.169024
 Vector nr. 37 of symmetry  7 found on file - RESTART SUCCESS
 Start vector is a CC3       RE  vector


 CC3        excitation energies with Omega=   0.083030
 =====================================================
 (conversion factor used: 1 au = 27.2113957 eV)

 Excitation no.       Hartree               eV
 --------------       -------               --

         1            0.086061            2.341839
 Vector nr. 37 of symmetry  7 found on file - RESTART SUCCESS
 Start vector is a CC3       RE  vector


 CC3        excitation energies with Omega=   0.086061
 =====================================================
 (conversion factor used: 1 au = 27.2113957 eV)

 Excitation no.       Hartree               eV
 --------------       -------               --

         1            0.086040            2.341263

 Converged root to diff.  0.000021  for root   1 in   3 iterations



 Total excited state energies for states of symmetry/spin   7  1
 Excitation no.       Energy (Hartree) 
 ------------------------------------- 
@@@    7    1          -199.219472768908673


 Analysis of the Coupled Cluster Excitation Vector Number :  1
 -------------------------------------------------------------

          Excitation Energy :                             2.3413 eV


          CC_PRAM:Overall Contribution of the Different Components
          --------------------------------------------------------



          Single Excitation Contribution :              68.7116 %

          Double Excitation Contribution :              31.2884 %

          ||T1||/||T2||                  :               1.4819

          Norm of Total Amplitude Vector :               1.0000


 +=============================================================================+
 | symmetry|  orbital index  |   Excitation Numbers             |   Amplitude  |
 |  Index  |   a   b   i   j |      NAI      NBJ |     NAIBJ    |              |
 +=============================================================================+
 | 5   3   |   1       1     |       25          |              |    0.825359  |
 +-----------------------------------------------------------------------------+
 | 5 3 1 1 |  11   7   3   3 |       39       21 |         1959 |    0.537613  |
 +=============================================================================+


          Norm of Printed Amplitude Vector :             0.9850

          Printed all single excitations greater than 0.165785

          Printed all double excitations greater than 0.111872


 *******************************************************************************

 --------------------------
 Symmetry class Nr.:     7
 Multiplicity      :     3
 --------------------------

 Length of Excitation vectors in this class is:     37740
 Converging for  3 roots.
 Vector nr. 40 of symmetry  7 found on file - RESTART SUCCESS
 Start vector is a CCSD      RE  vector
 Vector nr. 41 of symmetry  7 found on file - RESTART SUCCESS
 Start vector is a CCSD      RE  vector
 Vector nr. 42 of symmetry  7 found on file - RESTART SUCCESS
 Start vector is a CCSD      RE  vector


 SYMMETRY CLASS NR.    7
 MULTIPLICITY          3


 CC3        excitation energies with Omega=   0.865320
 =====================================================
 (conversion factor used: 1 au = 27.2113957 eV)

 Excitation no.       Hartree               eV 
 --------------       -------               --
         1            0.0759563495        2.0668774105
         2            0.3758773601       10.2281432608
         3            0.8595578376       23.3897585694


 Total excited state energies for states of symmetry/spin    7    3
 Excitation no.       Energy (Hartree) 
 ------------------------------------- 
@@    7    1          -199.229556265218065
@@    7    2          -198.929635254684797
@@    7    3          -198.445954777166435


 Analysis of the Coupled Cluster Excitation Vector Number :  1
 -------------------------------------------------------------

          Excitation Energy :                             2.0669 eV


     CC_PRAM:Overall Contribution of the Different Components
     --------------------------------------------------------



     Single Excitation Contribution      :         91.1973 %

     Double Excitation Contribution (+/-):          0.1047 %    /    8.6980 % 

     ||T1||/||T2||                       :          3.2187

     Norm of Total Amplitude Vector :          1.0000


 +=============================================================================+
 | symmetry|  orbital index  |   Excitation Numbers             |   Amplitude  |
 |  Index  |   a   b   i   j |      NAI      NBJ |     NAIBJ    |              |
 +=============================================================================+
 | 5   3   |   1       1     |       25          |              |    0.949489  |
 +-----------------------------------------------------------------------------+
 | 5 3 1 1 |  11   7   3   3 |       39       21 | (-)     1959 |    0.282770  |
 +=============================================================================+


          Norm of Printed Amplitude Vector :             0.9907


          Printed all single excitations greater than  0.190995


          Printed all double excitations greater than  0.059339


 Analysis of the Coupled Cluster Excitation Vector Number :  2
 -------------------------------------------------------------

          Excitation Energy :                            10.2281 eV


     CC_PRAM:Overall Contribution of the Different Components
     --------------------------------------------------------



     Single Excitation Contribution      :         53.9672 %

     Double Excitation Contribution (+/-):          1.3476 %    /   44.6852 % 

     ||T1||/||T2||                       :          1.0828

     Norm of Total Amplitude Vector :          1.0000


 +=============================================================================+
 | symmetry|  orbital index  |   Excitation Numbers             |   Amplitude  |
 |  Index  |   a   b   i   j |      NAI      NBJ |     NAIBJ    |              |
 +=============================================================================+
 | 1   7   |   2       1     |       57          |              |   -0.154317  |
 | 5   3   |   1       1     |       25          |              |    0.707567  |
 +-----------------------------------------------------------------------------+
 | 5 3 1 1 |  11   7   3   3 |       39       21 | (-)     1959 |   -0.641807  |
 +=============================================================================+


          Norm of Printed Amplitude Vector :             0.9677


          Printed all single excitations greater than  0.146925


          Printed all double excitations greater than  0.135695


 Analysis of the Coupled Cluster Excitation Vector Number :  3
 -------------------------------------------------------------

          Excitation Energy :                            23.3898 eV


     CC_PRAM:Overall Contribution of the Different Components
     --------------------------------------------------------



     Single Excitation Contribution      :         96.1757 %

     Double Excitation Contribution (+/-):          0.5038 %    /    3.3204 % 

     ||T1||/||T2||                       :          5.0149

     Norm of Total Amplitude Vector :          1.0000


 +=============================================================================+
 | symmetry|  orbital index  |   Excitation Numbers             |   Amplitude  |
 |  Index  |   a   b   i   j |      NAI      NBJ |     NAIBJ    |              |
 +=============================================================================+
 | 1   7   |   1       1     |       56          |              |    0.932034  |
 | 5   3   |   2       1     |       26          |              |    0.288001  |
 +-----------------------------------------------------------------------------+
 | 5 3 1 1 |   9   7   1   3 |        9       21 | (-)     1929 |    0.092125  |
 | 6 3 2 1 |   5   4   1   2 |       47       11 | (-)     1007 |    0.055739  |
 | 5 4 1 2 |  11   1   1   1 |       11       22 | (-)     2027 |   -0.059808  |
 | 5 1 3 1 |  12   9   1   3 |       36       35 | (-)    11800 |    0.042682  |
 | 1 1 7 1 |   8   8   1   3 |       63       34 | (+)    11759 |   -0.048766  |
 | 1 1 7 1 |   8   8   1   3 |       63       34 | (-)    11759 |    0.082181  |
 +=============================================================================+


          Norm of Printed Amplitude Vector :             0.9888


          Printed all single excitations greater than  0.196138


          Printed all double excitations greater than  0.039111
 Vector nr. 40 of symmetry  7 found on file - RESTART SUCCESS
 Start vector is a CC3       RE  vector
 Vector nr. 41 of symmetry  7 found on file - RESTART SUCCESS
 Start vector is a CC3       RE  vector
 Vector nr. 42 of symmetry  7 found on file - RESTART SUCCESS
 Start vector is a CC3       RE  vector


 CC3        excitation energies with Omega=   0.859558
 =====================================================
 (conversion factor used: 1 au = 27.2113957 eV)

 Excitation no.       Hartree               eV
 --------------       -------               --

         1            0.076000            2.068055
         2            0.376104           10.234318
         3            0.859565           23.389955

 Converged root to diff. -0.000007  for root   3 in   2 iterations



 Total excited state energies for states of symmetry/spin   7  3
 Excitation no.       Energy (Hartree) 
 ------------------------------------- 
@@@    7    3          -198.445947560732606


 Analysis of the Coupled Cluster Excitation Vector Number :  1
 -------------------------------------------------------------

          Excitation Energy :                             2.0681 eV


     CC_PRAM:Overall Contribution of the Different Components
     --------------------------------------------------------



     Single Excitation Contribution      :         91.2082 %

     Double Excitation Contribution (+/-):          0.1047 %    /    8.6871 % 

     ||T1||/||T2||                       :          3.2209

     Norm of Total Amplitude Vector :          1.0000


 +=============================================================================+
 | symmetry|  orbital index  |   Excitation Numbers             |   Amplitude  |
 |  Index  |   a   b   i   j |      NAI      NBJ |     NAIBJ    |              |
 +=============================================================================+
 | 5   3   |   1       1     |       25          |              |    0.949547  |
 +-----------------------------------------------------------------------------+
 | 5 3 1 1 |  11   7   3   3 |       39       21 | (-)     1959 |    0.282578  |
 +=============================================================================+


          Norm of Printed Amplitude Vector :             0.9907


          Printed all single excitations greater than  0.191006


          Printed all double excitations greater than  0.059302


 Analysis of the Coupled Cluster Excitation Vector Number :  2
 -------------------------------------------------------------

          Excitation Energy :                            10.2343 eV


     CC_PRAM:Overall Contribution of the Different Components
     --------------------------------------------------------



     Single Excitation Contribution      :         53.9465 %

     Double Excitation Contribution (+/-):          1.3483 %    /   44.7053 % 

     ||T1||/||T2||                       :          1.0823

     Norm of Total Amplitude Vector :          1.0000


 +=============================================================================+
 | symmetry|  orbital index  |   Excitation Numbers             |   Amplitude  |
 |  Index  |   a   b   i   j |      NAI      NBJ |     NAIBJ    |              |
 +=============================================================================+
 | 1   7   |   2       1     |       57          |              |   -0.154406  |
 | 5   3   |   1       1     |       25          |              |    0.707395  |
 +-----------------------------------------------------------------------------+
 | 5 3 1 1 |  11   7   3   3 |       39       21 | (-)     1959 |   -0.641943  |
 +=============================================================================+


          Norm of Printed Amplitude Vector :             0.9676


          Printed all single excitations greater than  0.146896


          Printed all double excitations greater than  0.135726


 Analysis of the Coupled Cluster Excitation Vector Number :  3
 -------------------------------------------------------------

          Excitation Energy :                            23.3900 eV


     CC_PRAM:Overall Contribution of the Different Components
     --------------------------------------------------------



     Single Excitation Contribution      :         96.1779 %

     Double Excitation Contribution (+/-):          0.5034 %    /    3.3187 % 

     ||T1||/||T2||                       :          5.0163

     Norm of Total Amplitude Vector :          1.0000


 +=============================================================================+
 | symmetry|  orbital index  |   Excitation Numbers             |   Amplitude  |
 |  Index  |   a   b   i   j |      NAI      NBJ |     NAIBJ    |              |
 +=============================================================================+
 | 1   7   |   1       1     |       56          |              |    0.932062  |
 | 5   3   |   2       1     |       26          |              |    0.287949  |
 +-----------------------------------------------------------------------------+
 | 5 3 1 1 |   9   7   1   3 |        9       21 | (-)     1929 |    0.092089  |
 | 6 3 2 1 |   5   4   1   2 |       47       11 | (-)     1007 |    0.055729  |
 | 5 4 1 2 |  11   1   1   1 |       11       22 | (-)     2027 |   -0.059799  |
 | 5 1 3 1 |  12   9   1   3 |       36       35 | (-)    11800 |    0.042673  |
 | 1 1 7 1 |   8   8   1   3 |       63       34 | (+)    11759 |   -0.048739  |
 | 1 1 7 1 |   8   8   1   3 |       63       34 | (-)    11759 |    0.082163  |
 +=============================================================================+


          Norm of Printed Amplitude Vector :             0.9888


          Printed all single excitations greater than  0.196141


          Printed all double excitations greater than  0.039100
 Vector nr. 40 of symmetry  7 found on file - RESTART SUCCESS
 Start vector is a CC3       RE  vector
 Vector nr. 41 of symmetry  7 found on file - RESTART SUCCESS
 Start vector is a CC3       RE  vector


 CC3        excitation energies with Omega=   0.376104
 =====================================================
 (conversion factor used: 1 au = 27.2113957 eV)

 Excitation no.       Hartree               eV
 --------------       -------               --

         1            0.079396            2.160469
         2            0.392368           10.676879
 Vector nr. 40 of symmetry  7 found on file - RESTART SUCCESS
 Start vector is a CC3       RE  vector
 Vector nr. 41 of symmetry  7 found on file - RESTART SUCCESS
 Start vector is a CC3       RE  vector


 CC3        excitation energies with Omega=   0.392368
 =====================================================
 (conversion factor used: 1 au = 27.2113957 eV)

 Excitation no.       Hartree               eV
 --------------       -------               --

         1            0.079293            2.157661
         2            0.391896           10.664040
 Vector nr. 40 of symmetry  7 found on file - RESTART SUCCESS
 Start vector is a CC3       RE  vector
 Vector nr. 41 of symmetry  7 found on file - RESTART SUCCESS
 Start vector is a CC3       RE  vector


 CC3        excitation energies with Omega=   0.391896
 =====================================================
 (conversion factor used: 1 au = 27.2113957 eV)

 Excitation no.       Hartree               eV
 --------------       -------               --

         1            0.079295            2.157714
         2            0.391909           10.664399

 Converged root to diff. -0.000013  for root   2 in   4 iterations



 Total excited state energies for states of symmetry/spin   7  3
 Excitation no.       Energy (Hartree) 
 ------------------------------------- 
@@@    7    2          -198.913603134350012


 Analysis of the Coupled Cluster Excitation Vector Number :  1
 -------------------------------------------------------------

          Excitation Energy :                             2.1577 eV


     CC_PRAM:Overall Contribution of the Different Components
     --------------------------------------------------------



     Single Excitation Contribution      :         91.9075 %

     Double Excitation Contribution (+/-):          0.1050 %    /    7.9876 % 

     ||T1||/||T2||                       :          3.3700

     Norm of Total Amplitude Vector :          1.0000


 +=============================================================================+
 | symmetry|  orbital index  |   Excitation Numbers             |   Amplitude  |
 |  Index  |   a   b   i   j |      NAI      NBJ |     NAIBJ    |              |
 +=============================================================================+
 | 5   3   |   1       1     |       25          |              |    0.953238  |
 +-----------------------------------------------------------------------------+
 | 5 3 1 1 |  11   7   3   3 |       39       21 | (-)     1959 |    0.270167  |
 +=============================================================================+


          Norm of Printed Amplitude Vector :             0.9908


          Printed all single excitations greater than  0.191737


          Printed all double excitations greater than  0.056895


 Analysis of the Coupled Cluster Excitation Vector Number :  2
 -------------------------------------------------------------

          Excitation Energy :                            10.6644 eV


     CC_PRAM:Overall Contribution of the Different Components
     --------------------------------------------------------



     Single Excitation Contribution      :         52.6001 %

     Double Excitation Contribution (+/-):          1.3813 %    /   46.0187 % 

     ||T1||/||T2||                       :          1.0534

     Norm of Total Amplitude Vector :          1.0000


 +=============================================================================+
 | symmetry|  orbital index  |   Excitation Numbers             |   Amplitude  |
 |  Index  |   a   b   i   j |      NAI      NBJ |     NAIBJ    |              |
 +=============================================================================+
 | 1   7   |   2       1     |       57          |              |   -0.161049  |
 | 5   3   |   1       1     |       25          |              |    0.695694  |
 +-----------------------------------------------------------------------------+
 | 5 3 1 1 |  11   7   3   3 |       39       21 | (-)     1959 |   -0.650519  |
 +=============================================================================+


          Norm of Printed Amplitude Vector :             0.9660


          Printed all single excitations greater than  0.145052


          Printed all double excitations greater than  0.137695
 Vector nr. 40 of symmetry  7 found on file - RESTART SUCCESS
 Start vector is a CC3       RE  vector


 CC3        excitation energies with Omega=   0.079295
 =====================================================
 (conversion factor used: 1 au = 27.2113957 eV)

 Excitation no.       Hartree               eV
 --------------       -------               --

         1            0.081138            2.207868
 Vector nr. 40 of symmetry  7 found on file - RESTART SUCCESS
 Start vector is a CC3       RE  vector


 CC3        excitation energies with Omega=   0.081138
 =====================================================
 (conversion factor used: 1 au = 27.2113957 eV)

 Excitation no.       Hartree               eV
 --------------       -------               --

         1            0.081137            2.207856

 Converged root to diff.  0.000000  for root   1 in   3 iterations



 Total excited state energies for states of symmetry/spin   7  3
 Excitation no.       Energy (Hartree) 
 ------------------------------------- 
@@@    7    1          -199.224375384970017


 Analysis of the Coupled Cluster Excitation Vector Number :  1
 -------------------------------------------------------------

          Excitation Energy :                             2.2079 eV


     CC_PRAM:Overall Contribution of the Different Components
     --------------------------------------------------------



     Single Excitation Contribution      :         92.2455 %

     Double Excitation Contribution (+/-):          0.1052 %    /    7.6493 % 

     ||T1||/||T2||                       :          3.4490

     Norm of Total Amplitude Vector :          1.0000


 +=============================================================================+
 | symmetry|  orbital index  |   Excitation Numbers             |   Amplitude  |
 |  Index  |   a   b   i   j |      NAI      NBJ |     NAIBJ    |              |
 +=============================================================================+
 | 5   3   |   1       1     |       25          |              |    0.955012  |
 +-----------------------------------------------------------------------------+
 | 5 3 1 1 |  11   7   3   3 |       39       21 | (-)     1959 |    0.263956  |
 +=============================================================================+


          Norm of Printed Amplitude Vector :             0.9908


          Printed all single excitations greater than  0.192089


          Printed all double excitations greater than  0.055694


 *******************************************************************************

 --------------------------
 Symmetry class Nr.:     8
 Multiplicity      :     1
 --------------------------

 Length of Excitation vectors in this class is:     17504
 Converging for  3 roots.
 Vector nr. 43 of symmetry  8 found on file - RESTART SUCCESS
 Start vector is a CCSD      RE  vector
 Vector nr. 44 of symmetry  8 found on file - RESTART SUCCESS
 Start vector is a CCSD      RE  vector
 Vector nr. 45 of symmetry  8 found on file - RESTART SUCCESS
 Start vector is a CCSD      RE  vector


 SYMMETRY CLASS NR.    8
 MULTIPLICITY          1


 CC3        excitation energies with Omega=   1.000388
 =====================================================
 (conversion factor used: 1 au = 27.2113957 eV)

 Excitation no.       Hartree               eV 
 --------------       -------               --
         1            0.1214664486        3.3052702006
         2            0.4716200729       12.8334350040
         3            0.9966563481       27.1203988127


 Total excited state energies for states of symmetry/spin    8    1
 Excitation no.       Energy (Hartree) 
 ------------------------------------- 
@@    8    1          -199.184046166192388
@@    8    2          -198.833892541890492
@@    8    3          -198.308856266687002


 Analysis of the Coupled Cluster Excitation Vector Number :  1
 -------------------------------------------------------------

          Excitation Energy :                             3.3053 eV


          CC_PRAM:Overall Contribution of the Different Components
          --------------------------------------------------------



          Single Excitation Contribution :               0.0240 %

          Double Excitation Contribution :              99.9760 %

          ||T1||/||T2||                  :               0.0155

          Norm of Total Amplitude Vector :               1.0000


 +=============================================================================+
 | symmetry|  orbital index  |   Excitation Numbers             |   Amplitude  |
 |  Index  |   a   b   i   j |      NAI      NBJ |     NAIBJ    |              |
 +=============================================================================+
 | 2   7   |   1       1     |       37          |              |   -0.007836  |
 | 3   6   |   1       1     |       30          |              |    0.007836  |
 | 6   3   |   1       1     |       17          |              |    0.006046  |
 | 7   2   |   1       1     |       10          |              |   -0.006046  |
 +-----------------------------------------------------------------------------+
 | 1 4 6 2 |   3   1   1   1 |       55       22 |         5611 |   -0.701350  |
 | 3 1 5 2 |   7   4   2   1 |       52       25 |        10436 |    0.701350  |
 +=============================================================================+


          Norm of Printed Amplitude Vector :             0.9920

          Printed all single excitations greater than 0.003098

          Printed all double excitations greater than 0.199976


 Analysis of the Coupled Cluster Excitation Vector Number :  2
 -------------------------------------------------------------

          Excitation Energy :                            12.8334 eV


          CC_PRAM:Overall Contribution of the Different Components
          --------------------------------------------------------



          Single Excitation Contribution :               0.0434 %

          Double Excitation Contribution :              99.9566 %

          ||T1||/||T2||                  :               0.0208

          Norm of Total Amplitude Vector :               1.0000


 +=============================================================================+
 | symmetry|  orbital index  |   Excitation Numbers             |   Amplitude  |
 |  Index  |   a   b   i   j |      NAI      NBJ |     NAIBJ    |              |
 +=============================================================================+
 | 2   7   |   1       1     |       37          |              |   -0.010750  |
 | 3   6   |   1       1     |       30          |              |   -0.010750  |
 | 6   3   |   1       1     |       17          |              |   -0.008215  |
 | 7   2   |   1       1     |       10          |              |   -0.008215  |
 +-----------------------------------------------------------------------------+
 | 1 4 6 2 |   3   1   1   1 |       55       22 |         5611 |   -0.693633  |
 | 3 1 5 2 |   7   4   2   1 |       52       25 |        10436 |   -0.693633  |
 +=============================================================================+


          Norm of Printed Amplitude Vector :             0.9811

          Printed all single excitations greater than 0.004169

          Printed all double excitations greater than 0.199957


 Analysis of the Coupled Cluster Excitation Vector Number :  3
 -------------------------------------------------------------

          Excitation Energy :                            27.1204 eV


          CC_PRAM:Overall Contribution of the Different Components
          --------------------------------------------------------



          Single Excitation Contribution :              90.0446 %

          Double Excitation Contribution :               9.9554 %

          ||T1||/||T2||                  :               3.0075

          Norm of Total Amplitude Vector :               1.0000


 +=============================================================================+
 | symmetry|  orbital index  |   Excitation Numbers             |   Amplitude  |
 |  Index  |   a   b   i   j |      NAI      NBJ |     NAIBJ    |              |
 +=============================================================================+
 | 2   7   |   1       1     |       37          |              |    0.659563  |
 | 3   6   |   1       1     |       30          |              |   -0.659561  |
 +-----------------------------------------------------------------------------+
 | 1 3 5 2 |   6   4   1   1 |       62       13 |         1214 |   -0.148775  |
 | 1 3 5 2 |  13   4   1   1 |       69       13 |         1221 |    0.148775  |
 | 6 4 1 2 |   1   1   3   1 |       15       22 |         5571 |   -0.079055  |
 | 1 8 6 6 |   3   2   1   1 |       55       53 |         7719 |   -0.064671  |
 | 7 1 1 2 |   1   4   3   1 |       15       25 |        10399 |    0.079055  |
 | 3 5 5 6 |   7   5   2   1 |       52       56 |        12544 |    0.064672  |
 +=============================================================================+


          Norm of Printed Amplitude Vector :             0.9670

          Printed all single excitations greater than 0.189784

          Printed all double excitations greater than 0.063104
 Vector nr. 43 of symmetry  8 found on file - RESTART SUCCESS
 Start vector is a CC3       RE  vector
 Vector nr. 44 of symmetry  8 found on file - RESTART SUCCESS
 Start vector is a CC3       RE  vector
 Vector nr. 45 of symmetry  8 found on file - RESTART SUCCESS
 Start vector is a CC3       RE  vector


 CC3        excitation energies with Omega=   0.996656
 =====================================================
 (conversion factor used: 1 au = 27.2113957 eV)

 Excitation no.       Hartree               eV
 --------------       -------               --

         1            0.121587            3.308541
         2            0.471995           12.843632
         3            0.996662           27.120543

 Converged root to diff. -0.000005  for root   3 in   2 iterations



 Total excited state energies for states of symmetry/spin   8  1
 Excitation no.       Energy (Hartree) 
 ------------------------------------- 
@@@    8    3          -198.308850967085760


 Analysis of the Coupled Cluster Excitation Vector Number :  1
 -------------------------------------------------------------

          Excitation Energy :                             3.3085 eV


          CC_PRAM:Overall Contribution of the Different Components
          --------------------------------------------------------



          Single Excitation Contribution :               0.0240 %

          Double Excitation Contribution :              99.9760 %

          ||T1||/||T2||                  :               0.0155

          Norm of Total Amplitude Vector :               1.0000


 +=============================================================================+
 | symmetry|  orbital index  |   Excitation Numbers             |   Amplitude  |
 |  Index  |   a   b   i   j |      NAI      NBJ |     NAIBJ    |              |
 +=============================================================================+
 | 2   7   |   1       1     |       37          |              |   -0.007841  |
 | 3   6   |   1       1     |       30          |              |    0.007841  |
 | 6   3   |   1       1     |       17          |              |    0.006046  |
 | 7   2   |   1       1     |       10          |              |   -0.006046  |
 +-----------------------------------------------------------------------------+
 | 1 4 6 2 |   3   1   1   1 |       55       22 |         5611 |   -0.701350  |
 | 3 1 5 2 |   7   4   2   1 |       52       25 |        10436 |    0.701350  |
 +=============================================================================+


          Norm of Printed Amplitude Vector :             0.9920

          Printed all single excitations greater than 0.003099

          Printed all double excitations greater than 0.199976


 Analysis of the Coupled Cluster Excitation Vector Number :  2
 -------------------------------------------------------------

          Excitation Energy :                            12.8436 eV


          CC_PRAM:Overall Contribution of the Different Components
          --------------------------------------------------------



          Single Excitation Contribution :               0.0435 %

          Double Excitation Contribution :              99.9565 %

          ||T1||/||T2||                  :               0.0209

          Norm of Total Amplitude Vector :               1.0000


 +=============================================================================+
 | symmetry|  orbital index  |   Excitation Numbers             |   Amplitude  |
 |  Index  |   a   b   i   j |      NAI      NBJ |     NAIBJ    |              |
 +=============================================================================+
 | 2   7   |   1       1     |       37          |              |   -0.010759  |
 | 3   6   |   1       1     |       30          |              |   -0.010759  |
 | 6   3   |   1       1     |       17          |              |   -0.008230  |
 | 7   2   |   1       1     |       10          |              |   -0.008230  |
 +-----------------------------------------------------------------------------+
 | 1 4 6 2 |   3   1   1   1 |       55       22 |         5611 |   -0.693610  |
 | 3 1 5 2 |   7   4   2   1 |       52       25 |        10436 |   -0.693610  |
 +=============================================================================+


          Norm of Printed Amplitude Vector :             0.9811

          Printed all single excitations greater than 0.004173

          Printed all double excitations greater than 0.199956


 Analysis of the Coupled Cluster Excitation Vector Number :  3
 -------------------------------------------------------------

          Excitation Energy :                            27.1205 eV


          CC_PRAM:Overall Contribution of the Different Components
          --------------------------------------------------------



          Single Excitation Contribution :              90.0508 %

          Double Excitation Contribution :               9.9492 %

          ||T1||/||T2||                  :               3.0085

          Norm of Total Amplitude Vector :               1.0000


 +=============================================================================+
 | symmetry|  orbital index  |   Excitation Numbers             |   Amplitude  |
 |  Index  |   a   b   i   j |      NAI      NBJ |     NAIBJ    |              |
 +=============================================================================+
 | 2   7   |   1       1     |       37          |              |    0.659589  |
 | 3   6   |   1       1     |       30          |              |   -0.659587  |
 +-----------------------------------------------------------------------------+
 | 1 3 5 2 |   6   4   1   1 |       62       13 |         1214 |   -0.148711  |
 | 1 3 5 2 |  13   4   1   1 |       69       13 |         1221 |    0.148711  |
 | 6 4 1 2 |   1   1   3   1 |       15       22 |         5571 |   -0.079042  |
 | 1 8 6 6 |   3   2   1   1 |       55       53 |         7719 |   -0.064636  |
 | 7 1 1 2 |   1   4   3   1 |       15       25 |        10399 |    0.079042  |
 | 3 5 5 6 |   7   5   2   1 |       52       56 |        12544 |    0.064638  |
 +=============================================================================+


          Norm of Printed Amplitude Vector :             0.9671

          Printed all single excitations greater than 0.189790

          Printed all double excitations greater than 0.063085
 Vector nr. 43 of symmetry  8 found on file - RESTART SUCCESS
 Start vector is a CC3       RE  vector
 Vector nr. 44 of symmetry  8 found on file - RESTART SUCCESS
 Start vector is a CC3       RE  vector


 CC3        excitation energies with Omega=   0.471995
 =====================================================
 (conversion factor used: 1 au = 27.2113957 eV)

 Excitation no.       Hartree               eV
 --------------       -------               --

         1            0.136530            3.715177
         2            0.514583           14.002519
 Vector nr. 43 of symmetry  8 found on file - RESTART SUCCESS
 Start vector is a CC3       RE  vector
 Vector nr. 44 of symmetry  8 found on file - RESTART SUCCESS
 Start vector is a CC3       RE  vector


 CC3        excitation energies with Omega=   0.514583
 =====================================================
 (conversion factor used: 1 au = 27.2113957 eV)

 Excitation no.       Hartree               eV
 --------------       -------               --

         1            0.135444            3.685614
         2            0.511726           13.924771
 Vector nr. 43 of symmetry  8 found on file - RESTART SUCCESS
 Start vector is a CC3       RE  vector
 Vector nr. 44 of symmetry  8 found on file - RESTART SUCCESS
 Start vector is a CC3       RE  vector


 CC3        excitation energies with Omega=   0.511726
 =====================================================
 (conversion factor used: 1 au = 27.2113957 eV)

 Excitation no.       Hartree               eV
 --------------       -------               --

         1            0.135517            3.687615
         2            0.511920           13.930063
 Vector nr. 43 of symmetry  8 found on file - RESTART SUCCESS
 Start vector is a CC3       RE  vector
 Vector nr. 44 of symmetry  8 found on file - RESTART SUCCESS
 Start vector is a CC3       RE  vector


 CC3        excitation energies with Omega=   0.511920
 =====================================================
 (conversion factor used: 1 au = 27.2113957 eV)

 Excitation no.       Hartree               eV
 --------------       -------               --

         1            0.135512            3.687479
         2            0.511907           13.929700

 Converged root to diff.  0.000013  for root   2 in   5 iterations



 Total excited state energies for states of symmetry/spin   8  1
 Excitation no.       Energy (Hartree) 
 ------------------------------------- 
@@@    8    2          -198.793605542752971


 Analysis of the Coupled Cluster Excitation Vector Number :  1
 -------------------------------------------------------------

          Excitation Energy :                             3.6875 eV


          CC_PRAM:Overall Contribution of the Different Components
          --------------------------------------------------------



          Single Excitation Contribution :               0.0262 %

          Double Excitation Contribution :              99.9738 %

          ||T1||/||T2||                  :               0.0162

          Norm of Total Amplitude Vector :               1.0000


 +=============================================================================+
 | symmetry|  orbital index  |   Excitation Numbers             |   Amplitude  |
 |  Index  |   a   b   i   j |      NAI      NBJ |     NAIBJ    |              |
 +=============================================================================+
 | 2   7   |   1       1     |       37          |              |   -0.008314  |
 | 3   6   |   1       1     |       30          |              |    0.008314  |
 | 6   3   |   1       1     |       17          |              |    0.006294  |
 | 7   2   |   1       1     |       10          |              |   -0.006294  |
 +-----------------------------------------------------------------------------+
 | 1 4 6 2 |   3   1   1   1 |       55       22 |         5611 |   -0.701248  |
 | 3 1 5 2 |   7   4   2   1 |       52       25 |        10436 |    0.701248  |
 +=============================================================================+


          Norm of Printed Amplitude Vector :             0.9918

          Printed all single excitations greater than 0.003235

          Printed all double excitations greater than 0.199974


 Analysis of the Coupled Cluster Excitation Vector Number :  2
 -------------------------------------------------------------

          Excitation Energy :                            13.9297 eV


          CC_PRAM:Overall Contribution of the Different Components
          --------------------------------------------------------



          Single Excitation Contribution :               0.0594 %

          Double Excitation Contribution :              99.9406 %

          ||T1||/||T2||                  :               0.0244

          Norm of Total Amplitude Vector :               1.0000


 +=============================================================================+
 | symmetry|  orbital index  |   Excitation Numbers             |   Amplitude  |
 |  Index  |   a   b   i   j |      NAI      NBJ |     NAIBJ    |              |
 +=============================================================================+
 | 2   7   |   1       1     |       37          |              |   -0.013029  |
 | 3   6   |   1       1     |       30          |              |   -0.013029  |
 | 6   3   |   1       1     |       17          |              |   -0.009553  |
 | 7   2   |   1       1     |       10          |              |   -0.009553  |
 +-----------------------------------------------------------------------------+
 | 1 4 6 2 |   3   1   1   1 |       55       22 |         5611 |   -0.691055  |
 | 3 1 5 2 |   7   4   2   1 |       52       25 |        10436 |   -0.691055  |
 +=============================================================================+


          Norm of Printed Amplitude Vector :             0.9776

          Printed all single excitations greater than 0.004876

          Printed all double excitations greater than 0.199941
 Vector nr. 43 of symmetry  8 found on file - RESTART SUCCESS
 Start vector is a CC3       RE  vector


 CC3        excitation energies with Omega=   0.135512
 =====================================================
 (conversion factor used: 1 au = 27.2113957 eV)

 Excitation no.       Hartree               eV
 --------------       -------               --

         1            0.144485            3.931650
 Vector nr. 43 of symmetry  8 found on file - RESTART SUCCESS
 Start vector is a CC3       RE  vector


 CC3        excitation energies with Omega=   0.144485
 =====================================================
 (conversion factor used: 1 au = 27.2113957 eV)

 Excitation no.       Hartree               eV
 --------------       -------               --

         1            0.144287            3.926236
 Vector nr. 43 of symmetry  8 found on file - RESTART SUCCESS
 Start vector is a CC3       RE  vector


 CC3        excitation energies with Omega=   0.144287
 =====================================================
 (conversion factor used: 1 au = 27.2113957 eV)

 Excitation no.       Hartree               eV
 --------------       -------               --

         1            0.144291            3.926357

 Converged root to diff. -0.000004  for root   1 in   4 iterations



 Total excited state energies for states of symmetry/spin   8  1
 Excitation no.       Energy (Hartree) 
 ------------------------------------- 
@@@    8    1          -199.161221661685573


 Analysis of the Coupled Cluster Excitation Vector Number :  1
 -------------------------------------------------------------

          Excitation Energy :                             3.9264 eV


          CC_PRAM:Overall Contribution of the Different Components
          --------------------------------------------------------



          Single Excitation Contribution :               0.0275 %

          Double Excitation Contribution :              99.9725 %

          ||T1||/||T2||                  :               0.0166

          Norm of Total Amplitude Vector :               1.0000


 +=============================================================================+
 | symmetry|  orbital index  |   Excitation Numbers             |   Amplitude  |
 |  Index  |   a   b   i   j |      NAI      NBJ |     NAIBJ    |              |
 +=============================================================================+
 | 2   7   |   1       1     |       37          |              |   -0.008582  |
 | 3   6   |   1       1     |       30          |              |    0.008582  |
 | 6   3   |   1       1     |       17          |              |    0.006451  |
 | 7   2   |   1       1     |       10          |              |   -0.006451  |
 +-----------------------------------------------------------------------------+
 | 1 4 6 2 |   3   1   1   1 |       55       22 |         5611 |   -0.701197  |
 | 3 1 5 2 |   7   4   2   1 |       52       25 |        10436 |    0.701197  |
 +=============================================================================+


          Norm of Printed Amplitude Vector :             0.9918

          Printed all single excitations greater than 0.003316

          Printed all double excitations greater than 0.199973


 *******************************************************************************

 --------------------------
 Symmetry class Nr.:     8
 Multiplicity      :     3
 --------------------------

 Length of Excitation vectors in this class is:     34965
 Converging for  3 roots.
 Vector nr. 46 of symmetry  8 found on file - RESTART SUCCESS
 Start vector is a CCSD      RE  vector
 Vector nr. 47 of symmetry  8 found on file - RESTART SUCCESS
 Start vector is a CCSD      RE  vector
 Vector nr. 48 of symmetry  8 found on file - RESTART SUCCESS
 Start vector is a CCSD      RE  vector


 SYMMETRY CLASS NR.    8
 MULTIPLICITY          3


 CC3        excitation energies with Omega=   0.973582
 =====================================================
 (conversion factor used: 1 au = 27.2113957 eV)

 Excitation no.       Hartree               eV 
 --------------       -------               --
         1            0.1239461593        3.3727465632
         2            0.3808120874       10.3624240223
         3            0.9508678899       25.8744314856


 Total excited state energies for states of symmetry/spin    8    3
 Excitation no.       Energy (Hartree) 
 ------------------------------------- 
@@    8    1          -199.181566455418050
@@    8    2          -198.924700527348591
@@    8    3          -198.354644724837158


 Analysis of the Coupled Cluster Excitation Vector Number :  1
 -------------------------------------------------------------

          Excitation Energy :                             3.3727 eV


     CC_PRAM:Overall Contribution of the Different Components
     --------------------------------------------------------



     Single Excitation Contribution      :          0.0964 %

     Double Excitation Contribution (+/-):          0.0617 %    /   99.8418 % 

     ||T1||/||T2||                       :          0.0311

     Norm of Total Amplitude Vector :          1.0000


 +=============================================================================+
 | symmetry|  orbital index  |   Excitation Numbers             |   Amplitude  |
 |  Index  |   a   b   i   j |      NAI      NBJ |     NAIBJ    |              |
 +=============================================================================+
 | 2   7   |   1       1     |       37          |              |   -0.015684  |
 | 3   6   |   1       1     |       30          |              |   -0.015684  |
 | 6   3   |   1       1     |       17          |              |    0.012084  |
 | 7   2   |   1       1     |       10          |              |    0.012084  |
 +-----------------------------------------------------------------------------+
 | 1 4 6 2 |   3   1   1   1 |       55       22 | (-)     5611 |   -0.700880  |
 | 3 1 5 2 |   7   4   2   1 |       52       25 | (-)    10436 |   -0.700880  |
 +=============================================================================+


          Norm of Printed Amplitude Vector :             0.9916


          Printed all single excitations greater than  0.006211


          Printed all double excitations greater than  0.199904


 Analysis of the Coupled Cluster Excitation Vector Number :  2
 -------------------------------------------------------------

          Excitation Energy :                            10.3624 eV


     CC_PRAM:Overall Contribution of the Different Components
     --------------------------------------------------------



     Single Excitation Contribution      :          0.1294 %

     Double Excitation Contribution (+/-):          0.0842 %    /   99.7864 % 

     ||T1||/||T2||                       :          0.0360

     Norm of Total Amplitude Vector :          1.0000


 +=============================================================================+
 | symmetry|  orbital index  |   Excitation Numbers             |   Amplitude  |
 |  Index  |   a   b   i   j |      NAI      NBJ |     NAIBJ    |              |
 +=============================================================================+
 | 2   7   |   1       1     |       37          |              |   -0.017898  |
 | 3   6   |   1       1     |       30          |              |    0.017898  |
 | 6   3   |   1       1     |       17          |              |   -0.014213  |
 | 7   2   |   1       1     |       10          |              |    0.014213  |
 +-----------------------------------------------------------------------------+
 | 1 4 6 2 |   3   1   1   1 |       55       22 | (-)     5611 |   -0.693485  |
 | 3 1 5 2 |   7   4   2   1 |       52       25 | (-)    10436 |    0.693485  |
 +=============================================================================+


          Norm of Printed Amplitude Vector :             0.9813


          Printed all single excitations greater than  0.007196


          Printed all double excitations greater than  0.199871


 Analysis of the Coupled Cluster Excitation Vector Number :  3
 -------------------------------------------------------------

          Excitation Energy :                            25.8744 eV


     CC_PRAM:Overall Contribution of the Different Components
     --------------------------------------------------------



     Single Excitation Contribution      :          7.0131 %

     Double Excitation Contribution (+/-):          1.5308 %    /   91.4561 % 

     ||T1||/||T2||                       :          0.2746

     Norm of Total Amplitude Vector :          1.0000


 +=============================================================================+
 | symmetry|  orbital index  |   Excitation Numbers             |   Amplitude  |
 |  Index  |   a   b   i   j |      NAI      NBJ |     NAIBJ    |              |
 +=============================================================================+
 | 2   7   |   1       1     |       37          |              |   -0.179964  |
 | 3   6   |   1       1     |       30          |              |   -0.179964  |
 +-----------------------------------------------------------------------------+
 | 5 4 2 2 |   4   1   1   1 |       25       22 | (-)     5581 |    0.364700  |
 | 1 8 6 6 |   3   2   1   1 |       55       53 | (-)     7719 |    0.549245  |
 | 8 1 2 2 |   1   4   1   1 |       22       25 | (-)    10406 |    0.364700  |
 | 3 5 5 6 |   7   5   2   1 |       52       56 | (-)    12544 |    0.549246  |
 +=============================================================================+


          Norm of Printed Amplitude Vector :             0.9665


          Printed all single excitations greater than  0.052965


          Printed all double excitations greater than  0.192859
 Vector nr. 46 of symmetry  8 found on file - RESTART SUCCESS
 Start vector is a CC3       RE  vector
 Vector nr. 47 of symmetry  8 found on file - RESTART SUCCESS
 Start vector is a CC3       RE  vector
 Vector nr. 48 of symmetry  8 found on file - RESTART SUCCESS
 Start vector is a CC3       RE  vector


 CC3        excitation energies with Omega=   0.950868
 =====================================================
 (conversion factor used: 1 au = 27.2113957 eV)

 Excitation no.       Hartree               eV
 --------------       -------               --

         1            0.124662            3.392216
         2            0.383148           10.426000
         3            0.951719           25.897596
 Vector nr. 46 of symmetry  8 found on file - RESTART SUCCESS
 Start vector is a CC3       RE  vector
 Vector nr. 47 of symmetry  8 found on file - RESTART SUCCESS
 Start vector is a CC3       RE  vector
 Vector nr. 48 of symmetry  8 found on file - RESTART SUCCESS
 Start vector is a CC3       RE  vector


 CC3        excitation energies with Omega=   0.951719
 =====================================================
 (conversion factor used: 1 au = 27.2113957 eV)

 Excitation no.       Hartree               eV
 --------------       -------               --

         1            0.124635            3.391493
         2            0.383061           10.423630
         3            0.951690           25.896793

 Converged root to diff.  0.000030  for root   3 in   3 iterations



 Total excited state energies for states of symmetry/spin   8  3
 Excitation no.       Energy (Hartree) 
 ------------------------------------- 
@@@    8    3          -198.353822965940310


 Analysis of the Coupled Cluster Excitation Vector Number :  1
 -------------------------------------------------------------

          Excitation Energy :                             3.3915 eV


     CC_PRAM:Overall Contribution of the Different Components
     --------------------------------------------------------



     Single Excitation Contribution      :          0.0969 %

     Double Excitation Contribution (+/-):          0.0617 %    /   99.8414 % 

     ||T1||/||T2||                       :          0.0311

     Norm of Total Amplitude Vector :          1.0000


 +=============================================================================+
 | symmetry|  orbital index  |   Excitation Numbers             |   Amplitude  |
 |  Index  |   a   b   i   j |      NAI      NBJ |     NAIBJ    |              |
 +=============================================================================+
 | 2   7   |   1       1     |       37          |              |   -0.015735  |
 | 3   6   |   1       1     |       30          |              |   -0.015735  |
 | 6   3   |   1       1     |       17          |              |    0.012118  |
 | 7   2   |   1       1     |       10          |              |    0.012118  |
 +-----------------------------------------------------------------------------+
 | 1 4 6 2 |   3   1   1   1 |       55       22 | (-)     5611 |   -0.700876  |
 | 3 1 5 2 |   7   4   2   1 |       52       25 | (-)    10436 |   -0.700876  |
 +=============================================================================+


          Norm of Printed Amplitude Vector :             0.9916


          Printed all single excitations greater than  0.006227


          Printed all double excitations greater than  0.199903


 Analysis of the Coupled Cluster Excitation Vector Number :  2
 -------------------------------------------------------------

          Excitation Energy :                            10.4236 eV


     CC_PRAM:Overall Contribution of the Different Components
     --------------------------------------------------------



     Single Excitation Contribution      :          0.1318 %

     Double Excitation Contribution (+/-):          0.0842 %    /   99.7840 % 

     ||T1||/||T2||                       :          0.0363

     Norm of Total Amplitude Vector :          1.0000


 +=============================================================================+
 | symmetry|  orbital index  |   Excitation Numbers             |   Amplitude  |
 |  Index  |   a   b   i   j |      NAI      NBJ |     NAIBJ    |              |
 +=============================================================================+
 | 2   7   |   1       1     |       37          |              |   -0.018114  |
 | 3   6   |   1       1     |       30          |              |    0.018114  |
 | 6   3   |   1       1     |       17          |              |   -0.014341  |
 | 7   2   |   1       1     |       10          |              |    0.014341  |
 +-----------------------------------------------------------------------------+
 | 1 4 6 2 |   3   1   1   1 |       55       22 | (-)     5611 |   -0.693338  |
 | 3 1 5 2 |   7   4   2   1 |       52       25 | (-)    10436 |    0.693338  |
 +=============================================================================+


          Norm of Printed Amplitude Vector :             0.9811


          Printed all single excitations greater than  0.007261


          Printed all double excitations greater than  0.199868


 Analysis of the Coupled Cluster Excitation Vector Number :  3
 -------------------------------------------------------------

          Excitation Energy :                            25.8968 eV


     CC_PRAM:Overall Contribution of the Different Components
     --------------------------------------------------------



     Single Excitation Contribution      :          7.6025 %

     Double Excitation Contribution (+/-):          1.5167 %    /   90.8808 % 

     ||T1||/||T2||                       :          0.2868

     Norm of Total Amplitude Vector :          1.0000


 +=============================================================================+
 | symmetry|  orbital index  |   Excitation Numbers             |   Amplitude  |
 |  Index  |   a   b   i   j |      NAI      NBJ |     NAIBJ    |              |
 +=============================================================================+
 | 2   7   |   1       1     |       37          |              |   -0.187414  |
 | 3   6   |   1       1     |       30          |              |   -0.187414  |
 +-----------------------------------------------------------------------------+
 | 5 4 2 2 |   4   1   1   1 |       25       22 | (-)     5581 |    0.364189  |
 | 1 8 6 6 |   3   2   1   1 |       55       53 | (-)     7719 |    0.546965  |
 | 8 1 2 2 |   1   4   1   1 |       22       25 | (-)    10406 |    0.364189  |
 | 3 5 5 6 |   7   5   2   1 |       52       56 | (-)    12544 |    0.546965  |
 +=============================================================================+


          Norm of Printed Amplitude Vector :             0.9664


          Printed all single excitations greater than  0.055145


          Printed all double excitations greater than  0.192247
 Vector nr. 46 of symmetry  8 found on file - RESTART SUCCESS
 Start vector is a CC3       RE  vector
 Vector nr. 47 of symmetry  8 found on file - RESTART SUCCESS
 Start vector is a CC3       RE  vector


 CC3        excitation energies with Omega=   0.383061
 =====================================================
 (conversion factor used: 1 au = 27.2113957 eV)

 Excitation no.       Hartree               eV
 --------------       -------               --

         1            0.140299            3.817728
         2            0.429322           11.682440
 Vector nr. 46 of symmetry  8 found on file - RESTART SUCCESS
 Start vector is a CC3       RE  vector
 Vector nr. 47 of symmetry  8 found on file - RESTART SUCCESS
 Start vector is a CC3       RE  vector


 CC3        excitation energies with Omega=   0.429322
 =====================================================
 (conversion factor used: 1 au = 27.2113957 eV)

 Excitation no.       Hartree               eV
 --------------       -------               --

         1            0.139164            3.786856
         2            0.426250           11.598864
 Vector nr. 46 of symmetry  8 found on file - RESTART SUCCESS
 Start vector is a CC3       RE  vector
 Vector nr. 47 of symmetry  8 found on file - RESTART SUCCESS
 Start vector is a CC3       RE  vector


 CC3        excitation energies with Omega=   0.426250
 =====================================================
 (conversion factor used: 1 au = 27.2113957 eV)

 Excitation no.       Hartree               eV
 --------------       -------               --

         1            0.139240            3.788920
         2            0.426457           11.604491
 Vector nr. 46 of symmetry  8 found on file - RESTART SUCCESS
 Start vector is a CC3       RE  vector
 Vector nr. 47 of symmetry  8 found on file - RESTART SUCCESS
 Start vector is a CC3       RE  vector


 CC3        excitation energies with Omega=   0.426457
 =====================================================
 (conversion factor used: 1 au = 27.2113957 eV)

 Excitation no.       Hartree               eV
 --------------       -------               --

         1            0.139235            3.788781
         2            0.426443           11.604110

 Converged root to diff.  0.000014  for root   2 in   5 iterations



 Total excited state energies for states of symmetry/spin   8  3
 Excitation no.       Energy (Hartree) 
 ------------------------------------- 
@@@    8    2          -198.879069410131336


 Analysis of the Coupled Cluster Excitation Vector Number :  1
 -------------------------------------------------------------

          Excitation Energy :                             3.7888 eV


     CC_PRAM:Overall Contribution of the Different Components
     --------------------------------------------------------



     Single Excitation Contribution      :          0.1057 %

     Double Excitation Contribution (+/-):          0.0601 %    /   99.8342 % 

     ||T1||/||T2||                       :          0.0325

     Norm of Total Amplitude Vector :          1.0000


 +=============================================================================+
 | symmetry|  orbital index  |   Excitation Numbers             |   Amplitude  |
 |  Index  |   a   b   i   j |      NAI      NBJ |     NAIBJ    |              |
 +=============================================================================+
 | 2   7   |   1       1     |       37          |              |   -0.016695  |
 | 3   6   |   1       1     |       30          |              |   -0.016695  |
 | 6   3   |   1       1     |       17          |              |    0.012626  |
 | 7   2   |   1       1     |       10          |              |    0.012626  |
 +-----------------------------------------------------------------------------+
 | 1 4 6 2 |   3   1   1   1 |       55       22 | (-)     5611 |   -0.700757  |
 | 3 1 5 2 |   7   4   2   1 |       52       25 | (-)    10436 |   -0.700757  |
 +=============================================================================+


          Norm of Printed Amplitude Vector :             0.9915


          Printed all single excitations greater than  0.006504


          Printed all double excitations greater than  0.199894


 Analysis of the Coupled Cluster Excitation Vector Number :  2
 -------------------------------------------------------------

          Excitation Energy :                            11.6041 eV


     CC_PRAM:Overall Contribution of the Different Components
     --------------------------------------------------------



     Single Excitation Contribution      :          0.1825 %

     Double Excitation Contribution (+/-):          0.0849 %    /   99.7326 % 

     ||T1||/||T2||                       :          0.0428

     Norm of Total Amplitude Vector :          1.0000


 +=============================================================================+
 | symmetry|  orbital index  |   Excitation Numbers             |   Amplitude  |
 |  Index  |   a   b   i   j |      NAI      NBJ |     NAIBJ    |              |
 +=============================================================================+
 | 2   7   |   1       1     |       37          |              |   -0.022262  |
 | 3   6   |   1       1     |       30          |              |    0.022262  |
 | 6   3   |   1       1     |       17          |              |   -0.016838  |
 | 7   2   |   1       1     |       10          |              |    0.016838  |
 +-----------------------------------------------------------------------------+
 | 1 4 6 2 |   3   1   1   1 |       55       22 | (-)     5611 |   -0.690513  |
 | 3 1 5 2 |   7   4   2   1 |       52       25 | (-)    10436 |    0.690513  |
 +=============================================================================+


          Norm of Printed Amplitude Vector :             0.9773


          Printed all single excitations greater than  0.008544


          Printed all double excitations greater than  0.199817
 Vector nr. 46 of symmetry  8 found on file - RESTART SUCCESS
 Start vector is a CC3       RE  vector


 CC3        excitation energies with Omega=   0.139235
 =====================================================
 (conversion factor used: 1 au = 27.2113957 eV)

 Excitation no.       Hartree               eV
 --------------       -------               --

         1            0.145948            3.971457
 Vector nr. 46 of symmetry  8 found on file - RESTART SUCCESS
 Start vector is a CC3       RE  vector


 CC3        excitation energies with Omega=   0.145948
 =====================================================
 (conversion factor used: 1 au = 27.2113957 eV)

 Excitation no.       Hartree               eV
 --------------       -------               --

         1            0.145800            3.967423
 Vector nr. 46 of symmetry  8 found on file - RESTART SUCCESS
 Start vector is a CC3       RE  vector


 CC3        excitation energies with Omega=   0.145800
 =====================================================
 (conversion factor used: 1 au = 27.2113957 eV)

 Excitation no.       Hartree               eV
 --------------       -------               --

         1            0.145803            3.967512

 Converged root to diff. -0.000003  for root   1 in   4 iterations



 Total excited state energies for states of symmetry/spin   8  3
 Excitation no.       Energy (Hartree) 
 ------------------------------------- 
@@@    8    1          -199.159709227938578


 Analysis of the Coupled Cluster Excitation Vector Number :  1
 -------------------------------------------------------------

          Excitation Energy :                             3.9675 eV


     CC_PRAM:Overall Contribution of the Different Components
     --------------------------------------------------------



     Single Excitation Contribution      :          0.1095 %

     Double Excitation Contribution (+/-):          0.0596 %    /   99.8309 % 

     ||T1||/||T2||                       :          0.0331

     Norm of Total Amplitude Vector :          1.0000


 +=============================================================================+
 | symmetry|  orbital index  |   Excitation Numbers             |   Amplitude  |
 |  Index  |   a   b   i   j |      NAI      NBJ |     NAIBJ    |              |
 +=============================================================================+
 | 2   7   |   1       1     |       37          |              |   -0.017077  |
 | 3   6   |   1       1     |       30          |              |   -0.017077  |
 | 6   3   |   1       1     |       17          |              |    0.012844  |
 | 7   2   |   1       1     |       10          |              |    0.012844  |
 +-----------------------------------------------------------------------------+
 | 1 4 6 2 |   3   1   1   1 |       55       22 | (-)     5611 |   -0.700712  |
 | 3 1 5 2 |   7   4   2   1 |       52       25 | (-)    10436 |   -0.700712  |
 +=============================================================================+


          Norm of Printed Amplitude Vector :             0.9914


          Printed all single excitations greater than  0.006618


          Printed all double excitations greater than  0.199890
  

 *******************************************************************************
 *******************************************************************************
 *                                                                             *
 *                                                                             *
 *                   SUMMARY OF COUPLED CLUSTER CALCULATION                    *
 *                                                                             *
 *                                                                             *
 *******************************************************************************
 *******************************************************************************

                                                                                
                                                                                
            Total SCF   energy:                  -198.6740565528                
            Total MP2   energy:                  -199.2714244009                
            Total CC2   energy:                  -199.2870469282                
                                                                                
                                                                                
 +=============================================================================+
 |  sym. | Exci.  |        CC2        Excitation energies            | ||T1||  |
 |(spin, |        +------------------------------------------------------------+
 | spat) |        |     Hartree    |       eV.      |     cm-1       |    %    |
 +=============================================================================+
 | ^1Ag  |    1   |     0.8756211  |      23.82686  |    192176.617  |  76.18  |
 | ^1Ag  |    2   |     1.0091554  |      27.46051  |    221484.003  |  90.12  |
 | ^1Ag  |    3   |     1.0096104  |      27.47290  |    221583.877  |  84.90  |
 +-----------------------------------------------------------------------------+
 | ^3Ag  |    1   |     0.8267786  |      22.49779  |    181456.918  |  98.25  |
 | ^3Ag  |    2   |     0.9559557  |      26.01288  |    209808.016  |  97.62  |
 | ^3Ag  |    3   |     0.9898773  |      26.93593  |    217252.944  |  96.42  |
 +-----------------------------------------------------------------------------+
 | ^1B3u |    1   |     0.0780168  |       2.12294  |     17122.699  |  92.31  |
 | ^1B3u |    2   |     0.8950387  |      24.35524  |    196438.289  |  86.88  |
 | ^1B3u |    3   |     0.9433717  |      25.67045  |    207046.157  |  94.17  |
 +-----------------------------------------------------------------------------+
 | ^3B3u |    1   |     0.0435175  |       1.18417  |      9550.994  |  98.11  |
 | ^3B3u |    2   |     0.8774876  |      23.87765  |    192586.275  |  95.90  |
 | ^3B3u |    3   |     0.9154376  |      24.91033  |    200915.335  |  96.30  |
 +-----------------------------------------------------------------------------+
 | ^1B2u |    1   |     0.0780168  |       2.12294  |     17122.699  |  92.31  |
 | ^1B2u |    2   |     0.8950387  |      24.35524  |    196438.289  |  86.88  |
 | ^1B2u |    3   |     0.9433717  |      25.67045  |    207046.157  |  94.17  |
 +-----------------------------------------------------------------------------+
 | ^3B2u |    1   |     0.0435175  |       1.18417  |      9550.994  |  98.11  |
 | ^3B2u |    2   |     0.8774876  |      23.87765  |    192586.275  |  95.90  |
 | ^3B2u |    3   |     0.9154376  |      24.91033  |    200915.335  |  96.30  |
 +-----------------------------------------------------------------------------+
 | ^1B1g |    1   |     1.0079029  |      27.42643  |    221209.115  |  90.12  |
 | ^1B1g |    2   |     1.0091541  |      27.46048  |    221483.722  |  89.57  |
 | ^1B1g |    3   |     1.1162423  |      30.37450  |    244986.875  |  93.26  |
 +-----------------------------------------------------------------------------+
 | ^3B1g |    1   |     0.9898759  |      26.93589  |    217252.652  |  96.42  |
 | ^3B1g |    2   |     1.0078156  |      27.42406  |    221189.953  |  95.45  |
 | ^3B1g |    3   |     1.0956621  |      29.81448  |    240470.034  |  96.30  |
 +-----------------------------------------------------------------------------+
 | ^1B1u |    1   |     0.4633053  |      12.60718  |    101683.750  |  96.62  |
 | ^1B1u |    2   |     0.9639636  |      26.23078  |    211565.562  |  91.42  |
 | ^1B1u |    3   |     0.9721320  |      26.45306  |    213358.317  |  85.52  |
 +-----------------------------------------------------------------------------+
 | ^3B1u |    1   |     0.0813208  |       2.21285  |     17847.852  |  99.54  |
 | ^3B1u |    2   |     0.9064437  |      24.66559  |    198941.394  |  97.85  |
 | ^3B1u |    3   |     0.9273495  |      25.23446  |    203529.693  |  97.81  |
 +-----------------------------------------------------------------------------+
 | ^1B2g |    1   |     0.1285999  |       3.49938  |     28224.425  |  90.89  |
 | ^1B2g |    2   |     0.8517054  |      23.17608  |    186927.735  |  90.35  |
 | ^1B2g |    3   |     0.9810221  |      26.69497  |    215309.468  |  90.72  |
 +-----------------------------------------------------------------------------+
 | ^3B2g |    1   |     0.1030271  |       2.80351  |     22611.844  |  97.90  |
 | ^3B2g |    2   |     0.8332286  |      22.67330  |    182872.534  |  96.41  |
 | ^3B2g |    3   |     0.9638677  |      26.22818  |    211544.515  |  95.82  |
 +-----------------------------------------------------------------------------+
 | ^1B3g |    1   |     0.1285999  |       3.49938  |     28224.425  |  90.89  |
 | ^1B3g |    2   |     0.8517054  |      23.17608  |    186927.735  |  90.35  |
 | ^1B3g |    3   |     0.9810221  |      26.69497  |    215309.468  |  90.72  |
 +-----------------------------------------------------------------------------+
 | ^3B3g |    1   |     0.1030271  |       2.80351  |     22611.844  |  97.90  |
 | ^3B3g |    2   |     0.8332286  |      22.67330  |    182872.534  |  96.41  |
 | ^3B3g |    3   |     0.9638677  |      26.22818  |    211544.515  |  95.82  |
 +-----------------------------------------------------------------------------+
 | ^1Au  |    1   |     0.9629035  |      26.20194  |    211332.892  |  91.66  |
 | ^1Au  |    2   |     0.9639633  |      26.23078  |    211565.483  |  91.42  |
 | ^1Au  |    3   |     1.1609575  |      31.59126  |    254800.727  |  91.54  |
 +-----------------------------------------------------------------------------+
 | ^3Au  |    1   |     0.9446718  |      25.70583  |    207331.494  |  96.78  |
 | ^3Au  |    2   |     0.9633552  |      26.21423  |    211432.029  |  96.25  |
 | ^3Au  |    3   |     1.1418150  |      31.07037  |    250599.423  |  95.89  |
 +=============================================================================+
                                                                                
                                                                                
     Total energies in Hartree:                                                 
             1 ^1Ag      -198.4114258262                                        
             2 ^1Ag      -198.2778915496                                        
             3 ^1Ag      -198.2774364896                                        
             1 ^3Ag      -198.4602683665                                        
             2 ^3Ag      -198.3310912596                                        
             3 ^3Ag      -198.2971696727                                        
             1 ^1B3u     -199.2090301692                                        
             2 ^1B3u     -198.3920082183                                        
             3 ^1B3u     -198.3436752167                                        
             1 ^3B3u     -199.2435293991                                        
             2 ^3B3u     -198.4095592845                                        
             3 ^3B3u     -198.3716092952                                        
             1 ^1B2u     -199.2090301692                                        
             2 ^1B2u     -198.3920082183                                        
             3 ^1B2u     -198.3436752167                                        
             1 ^3B2u     -199.2435293991                                        
             2 ^3B2u     -198.4095592845                                        
             3 ^3B2u     -198.3716092952                                        
             1 ^1B1g     -198.2791440313                                        
             2 ^1B1g     -198.2778928264                                        
             3 ^1B1g     -198.1708045810                                        
             1 ^3B1g     -198.2971710030                                        
             2 ^3B1g     -198.2792313391                                        
             3 ^3B1g     -198.1913848245                                        
             1 ^1B1u     -198.8237416684                                        
             2 ^1B1u     -198.3230832912                                        
             3 ^1B1u     -198.3149148982                                        
             1 ^3B1u     -199.2057261310                                        
             2 ^3B1u     -198.3806032310                                        
             3 ^3B1u     -198.3596974030                                        
             1 ^1B2g     -199.1584469833                                        
             2 ^1B2g     -198.4353414895                                        
             3 ^1B2g     -198.3060247989                                        
             1 ^3B2g     -199.1840197845                                        
             2 ^3B2g     -198.4538183468                                        
             3 ^3B2g     -198.3231791871                                        
             1 ^1B3g     -199.1584469833                                        
             2 ^1B3g     -198.4353414895                                        
             3 ^1B3g     -198.3060247989                                        
             1 ^3B3g     -199.1840197845                                        
             2 ^3B3g     -198.4538183468                                        
             3 ^3B3g     -198.3231791871                                        
             1 ^1Au      -198.3241434120                                        
             2 ^1Au      -198.3230836491                                        
             3 ^1Au      -198.1260893841                                        
             1 ^3Au      -198.3423751238                                        
             2 ^3Au      -198.3236917118                                        
             3 ^3Au      -198.1452319305                                        
                                                                                
                                                                                
            Total SCF   energy:                  -198.6740565528                
            Total RSTAR energy:                  -199.2870469282                
            Total CCSD  energy:                  -199.2750260450                
                                                                                
                                                                                
 +=============================================================================+
 |  sym. | Exci.  |        CCSD       Excitation energies            | ||T1||  |
 |(spin, |        +------------------------------------------------------------+
 | spat) |        |     Hartree    |       eV.      |     cm-1       |    %    |
 +=============================================================================+
 | ^1Ag  |    1   |     0.2621402  |       7.13320  |     57533.119  |   0.08  |
 | ^1Ag  |    2   |     0.2644530  |       7.19613  |     58040.733  |   0.10  |
 | ^1Ag  |    3   |     0.6268357  |      17.05707  |    137574.537  |  13.97  |
 +-----------------------------------------------------------------------------+
 | ^3Ag  |    1   |     0.8132976  |      22.13095  |    178498.186  |  97.04  |
 | ^3Ag  |    2   |     0.9648708  |      26.25547  |    211764.669  |  98.31  |
 | ^3Ag  |    3   |     1.0073931  |      27.41256  |    221097.236  |  97.96  |
 +-----------------------------------------------------------------------------+
 | ^1B3u |    1   |     0.0662839  |       1.80368  |     14547.640  |  85.78  |
 | ^1B3u |    2   |     0.6320348  |      17.19854  |    138715.608  |  13.54  |
 | ^1B3u |    3   |     0.9445259  |      25.70186  |    207299.474  |  93.39  |
 +-----------------------------------------------------------------------------+
 | ^3B3u |    1   |     0.0379002  |       1.03132  |      8318.130  |  97.06  |
 | ^3B3u |    2   |     0.5600449  |      15.23960  |    122915.645  |  28.06  |
 | ^3B3u |    3   |     0.8974429  |      24.42066  |    196965.957  |  97.80  |
 +-----------------------------------------------------------------------------+
 | ^1B2u |    1   |     0.0662839  |       1.80368  |     14547.640  |  85.78  |
 | ^1B2u |    2   |     0.6320348  |      17.19854  |    138715.608  |  13.54  |
 | ^1B2u |    3   |     0.9445259  |      25.70186  |    207299.474  |  93.39  |
 +-----------------------------------------------------------------------------+
 | ^3B2u |    1   |     0.0379002  |       1.03132  |      8318.130  |  97.06  |
 | ^3B2u |    2   |     0.5600449  |      15.23960  |    122915.645  |  28.06  |
 | ^3B2u |    3   |     0.8974429  |      24.42066  |    196965.957  |  97.80  |
 +-----------------------------------------------------------------------------+
 | ^1B1g |    1   |     0.2621398  |       7.13319  |     57533.031  |   0.04  |
 | ^1B1g |    2   |     0.7519093  |      20.46049  |    165025.025  |   0.26  |
 | ^1B1g |    3   |     1.0459659  |      28.46218  |    229562.973  |  93.39  |
 +-----------------------------------------------------------------------------+
 | ^3B1g |    1   |     0.2589081  |       7.04525  |     56823.770  |   0.15  |
 | ^3B1g |    2   |     0.6681880  |      18.18232  |    146650.321  |   0.74  |
 | ^3B1g |    3   |     1.0135933  |      27.58128  |    222458.005  |  98.07  |
 +-----------------------------------------------------------------------------+
 | ^1B1u |    1   |     0.4625574  |      12.58683  |    101519.606  |  92.75  |
 | ^1B1u |    2   |     0.7820768  |      21.28139  |    171646.019  |   7.60  |
 | ^1B1u |    3   |     0.9385224  |      25.53849  |    205981.856  |  67.14  |
 +-----------------------------------------------------------------------------+
 | ^3B1u |    1   |     0.0618887  |       1.68408  |     13582.991  |  99.53  |
 | ^3B1u |    2   |     0.2706605  |       7.36505  |     59403.105  |   0.25  |
 | ^3B1u |    3   |     0.8959195  |      24.37921  |    196631.595  |  96.22  |
 +-----------------------------------------------------------------------------+
 | ^1B2g |    1   |     0.1038596  |       2.82616  |     22794.552  |  80.12  |
 | ^1B2g |    2   |     0.5926556  |      16.12698  |    130072.865  |  19.65  |
 | ^1B2g |    3   |     0.8951073  |      24.35711  |    196453.351  |  93.10  |
 +-----------------------------------------------------------------------------+
 | ^3B2g |    1   |     0.0904057  |       2.46006  |     19841.756  |  95.82  |
 | ^3B2g |    2   |     0.5119405  |      13.93061  |    112357.943  |  38.81  |
 | ^3B2g |    3   |     0.8653204  |      23.54657  |    189915.872  |  97.90  |
 +-----------------------------------------------------------------------------+
 | ^1B3g |    1   |     0.1038596  |       2.82616  |     22794.552  |  80.12  |
 | ^1B3g |    2   |     0.5926556  |      16.12698  |    130072.865  |  19.65  |
 | ^1B3g |    3   |     0.8951073  |      24.35711  |    196453.351  |  93.10  |
 +-----------------------------------------------------------------------------+
 | ^3B3g |    1   |     0.0904057  |       2.46006  |     19841.756  |  95.82  |
 | ^3B3g |    2   |     0.5119405  |      13.93061  |    112357.943  |  38.81  |
 | ^3B3g |    3   |     0.8653204  |      23.54657  |    189915.872  |  97.90  |
 +-----------------------------------------------------------------------------+
 | ^1Au  |    1   |     0.2681402  |       7.29647  |     58849.970  |   0.04  |
 | ^1Au  |    2   |     0.7435018  |      20.23171  |    163179.791  |   0.29  |
 | ^1Au  |    3   |     1.0003881  |      27.22195  |    219559.814  |  94.28  |
 +-----------------------------------------------------------------------------+
 | ^3Au  |    1   |     0.2696490  |       7.33752  |     59181.107  |   0.17  |
 | ^3Au  |    2   |     0.6576801  |      17.89639  |    144344.095  |   0.76  |
 | ^3Au  |    3   |     0.9735817  |      26.49251  |    213676.493  |  98.26  |
 +=============================================================================+
                                                                                
                                                                                
     Total energies in Hartree:                                                 
             1 ^1Ag      -199.0128858644                                        
             2 ^1Ag      -199.0105730054                                        
             3 ^1Ag      -198.6481903275                                        
             1 ^3Ag      -198.4617284588                                        
             2 ^3Ag      -198.3101552094                                        
             3 ^3Ag      -198.2676329068                                        
             1 ^1B3u     -199.2087421191                                        
             2 ^1B3u     -198.6429912245                                        
             3 ^1B3u     -198.3305001356                                        
             1 ^3B3u     -199.2371258566                                        
             2 ^3B3u     -198.7149811514                                        
             3 ^3B3u     -198.3775831044                                        
             1 ^1B2u     -199.2087421191                                        
             2 ^1B2u     -198.6429912245                                        
             3 ^1B2u     -198.3305001356                                        
             1 ^3B2u     -199.2371258566                                        
             2 ^3B2u     -198.7149811514                                        
             3 ^3B2u     -198.3775831044                                        
             1 ^1B1g     -199.0128862662                                        
             2 ^1B1g     -198.5231167008                                        
             3 ^1B1g     -198.2290601699                                        
             1 ^3B1g     -199.0161178983                                        
             2 ^3B1g     -198.6068380108                                        
             3 ^3B1g     -198.2614327839                                        
             1 ^1B1u     -198.8124686793                                        
             2 ^1B1u     -198.4929492308                                        
             3 ^1B1u     -198.3365036428                                        
             1 ^3B1u     -199.2131373834                                        
             2 ^3B1u     -199.0043655795                                        
             3 ^3B1u     -198.3791065702                                        
             1 ^1B2g     -199.1711664238                                        
             2 ^1B2g     -198.6823704599                                        
             3 ^1B2g     -198.3799187100                                        
             1 ^3B2g     -199.1846203499                                        
             2 ^3B2g     -198.7630855820                                        
             3 ^3B2g     -198.4097056547                                        
             1 ^1B3g     -199.1711664238                                        
             2 ^1B3g     -198.6823704599                                        
             3 ^1B3g     -198.3799187100                                        
             1 ^3B3g     -199.1846203499                                        
             2 ^3B3g     -198.7630855820                                        
             3 ^3B3g     -198.4097056547                                        
             1 ^1Au      -199.0068858506                                        
             2 ^1Au      -198.5315242052                                        
             3 ^1Au      -198.2746379169                                        
             1 ^3Au      -199.0053770768                                        
             2 ^3Au      -198.6173459503                                        
             3 ^3Au      -198.3014442996                                        
                                                                                
                                                                                
            Total SCF   energy:                  -198.6740565528                
            Total RSTAR energy:                  -199.2750260450                
            Total CC3   energy:                  -199.3055126148                
                                                                                
                                                                                
 +=============================================================================+
 |  sym. | Exci.  |        CC3        Excitation energies            | ||T1||  |
 |(spin, |        +------------------------------------------------------------+
 | spat) |        |     Hartree    |       eV.      |     cm-1       |    %    |
 +=============================================================================+
 | ^1Ag  |    1   |     0.1365961  |       3.71697  |     29979.378  |   0.05  |
 | ^1Ag  |    2   |     0.1401982  |       3.81499  |     30769.939  |   0.07  |
 | ^1Ag  |    3   |     0.5095449  |      13.86542  |    111832.172  |   7.48  |
 +-----------------------------------------------------------------------------+
 | ^3Ag  |    1   |     0.8103027  |      22.04946  |    177840.888  |  95.58  |
 | ^3Ag  |    2   |     0.9594882  |      26.10900  |    210583.312  |  96.33  |
 | ^3Ag  |    3   |     0.9789072  |      26.63742  |    214845.296  |   5.52  |
 +-----------------------------------------------------------------------------+
 | ^1B3u |    1   |     0.0592933  |       1.61345  |     13013.381  |  78.74  |
 | ^1B3u |    2   |     0.5106097  |      13.89440  |    112065.866  |  18.58  |
 | ^1B3u |    3   |     0.9327625  |      25.38176  |    204717.704  |  68.22  |
 +-----------------------------------------------------------------------------+
 | ^3B3u |    1   |     0.0376474  |       1.02444  |      8262.657  |  95.45  |
 | ^3B3u |    2   |     0.4330048  |      11.78266  |     95033.570  |  35.83  |
 | ^3B3u |    3   |     0.8868431  |      24.13223  |    194639.551  |  94.34  |
 +-----------------------------------------------------------------------------+
 | ^1B2u |    1   |     0.0592933  |       1.61345  |     13013.381  |  78.74  |
 | ^1B2u |    2   |     0.5106097  |      13.89440  |    112065.866  |  18.58  |
 | ^1B2u |    3   |     0.9327625  |      25.38176  |    204717.704  |  68.22  |
 +-----------------------------------------------------------------------------+
 | ^3B2u |    1   |     0.0376474  |       1.02444  |      8262.657  |  95.45  |
 | ^3B2u |    2   |     0.4330048  |      11.78266  |     95033.570  |  35.83  |
 | ^3B2u |    3   |     0.8868431  |      24.13223  |    194639.551  |  94.34  |
 +-----------------------------------------------------------------------------+
 | ^1B1g |    1   |     0.1365951  |       3.71694  |     29979.152  |   0.03  |
 | ^1B1g |    2   |     0.5221135  |      14.20743  |    114590.669  |   0.06  |
 | ^1B1g |    3   |     0.9885254  |      26.89914  |    216956.240  |   0.19  |
 +-----------------------------------------------------------------------------+
 | ^3B1g |    1   |     0.1315841  |       3.58059  |     28879.370  |   0.10  |
 | ^3B1g |    2   |     0.4402801  |      11.98063  |     96630.312  |   0.19  |
 | ^3B1g |    3   |     0.9773801  |      26.59587  |    214510.137  |   0.07  |
 +-----------------------------------------------------------------------------+
 | ^1B1u |    1   |     0.4354911  |      11.85032  |     95579.251  |  86.85  |
 | ^1B1u |    2   |     0.5866327  |      15.96309  |    128750.992  |   9.99  |
 | ^1B1u |    3   |     0.8986950  |      24.45473  |    197240.749  |  59.81  |
 +-----------------------------------------------------------------------------+
 | ^3B1u |    1   |     0.0789819  |       2.14921  |     17334.524  |  99.47  |
 | ^3B1u |    2   |     0.1458032  |       3.96751  |     32000.099  |   0.11  |
 | ^3B1u |    3   |     0.1470109  |       4.00037  |     32265.166  |   0.67  |
 +-----------------------------------------------------------------------------+
 | ^1B2g |    1   |     0.0860398  |       2.34126  |     18883.563  |  68.71  |
 | ^1B2g |    2   |     0.4804051  |      13.07249  |    105436.726  |  28.58  |
 | ^1B2g |    3   |     0.8887856  |      24.18509  |    195065.882  |  84.89  |
 +-----------------------------------------------------------------------------+
 | ^3B2g |    1   |     0.0811372  |       2.20786  |     17807.563  |  92.25  |
 | ^3B2g |    2   |     0.3919095  |      10.66440  |     86014.188  |  52.60  |
 | ^3B2g |    3   |     0.8595651  |      23.38995  |    188652.722  |  96.18  |
 +-----------------------------------------------------------------------------+
 | ^1B3g |    1   |     0.0860398  |       2.34126  |     18883.563  |  68.71  |
 | ^1B3g |    2   |     0.4804051  |      13.07249  |    105436.726  |  28.58  |
 | ^1B3g |    3   |     0.8887856  |      24.18509  |    195065.882  |  84.89  |
 +-----------------------------------------------------------------------------+
 | ^3B3g |    1   |     0.0811372  |       2.20786  |     17807.563  |  92.25  |
 | ^3B3g |    2   |     0.3919095  |      10.66440  |     86014.188  |  52.60  |
 | ^3B3g |    3   |     0.8595651  |      23.38995  |    188652.722  |  96.18  |
 +-----------------------------------------------------------------------------+
 | ^1Au  |    1   |     0.1442910  |       3.92636  |     31668.203  |   0.03  |
 | ^1Au  |    2   |     0.5119071  |      13.92970  |    112350.615  |   0.06  |
 | ^1Au  |    3   |     0.9966616  |      27.12054  |    218741.946  |  90.05  |
 +-----------------------------------------------------------------------------+
 | ^3Au  |    1   |     0.1458034  |       3.96751  |     32000.144  |   0.11  |
 | ^3Au  |    2   |     0.4264432  |      11.60411  |     93593.464  |   0.18  |
 | ^3Au  |    3   |     0.9516896  |      25.89679  |    208871.733  |   7.60  |
 +=============================================================================+
                                                                                
                                                                                
     Total energies in Hartree:                                                 
             1 ^1Ag      -199.1689165161                                        
             2 ^1Ag      -199.1653144574                                        
             3 ^1Ag      -198.7959677441                                        
             1 ^3Ag      -198.4952098989                                        
             2 ^3Ag      -198.3460244357                                        
             3 ^3Ag      -198.3266054083                                        
             1 ^1B3u     -199.2462192891                                        
             2 ^1B3u     -198.7949029562                                        
             3 ^1B3u     -198.3727501136                                        
             1 ^3B3u     -199.2678651774                                        
             2 ^3B3u     -198.8725078073                                        
             3 ^3B3u     -198.4186695578                                        
             1 ^1B2u     -199.2462192891                                        
             2 ^1B2u     -198.7949029562                                        
             3 ^1B2u     -198.3727501136                                        
             1 ^3B2u     -199.2678651774                                        
             2 ^3B2u     -198.8725078073                                        
             3 ^3B2u     -198.4186695578                                        
             1 ^1B1g     -199.1689175463                                        
             2 ^1B1g     -198.7833991048                                        
             3 ^1B1g     -198.3169872425                                        
             1 ^3B1g     -199.1739285224                                        
             2 ^3B1g     -198.8652325135                                        
             3 ^3B1g     -198.3281325068                                        
             1 ^1B1u     -198.8700214981                                        
             2 ^1B1u     -198.7188799244                                        
             3 ^1B1u     -198.4068176292                                        
             1 ^3B1u     -199.2265307122                                        
             2 ^3B1u     -199.1597094358                                        
             3 ^3B1u     -199.1585017014                                        
             1 ^1B2g     -199.2194727689                                        
             2 ^1B2g     -198.8251075367                                        
             3 ^1B2g     -198.4167270511                                        
             1 ^3B2g     -199.2243753850                                        
             2 ^3B2g     -198.9136031344                                        
             3 ^3B2g     -198.4459475607                                        
             1 ^1B3g     -199.2194727689                                        
             2 ^1B3g     -198.8251075367                                        
             3 ^1B3g     -198.4167270511                                        
             1 ^3B3g     -199.2243753850                                        
             2 ^3B3g     -198.9136031344                                        
             3 ^3B3g     -198.4459475607                                        
             1 ^1Au      -199.1612216617                                        
             2 ^1Au      -198.7936055428                                        
             3 ^1Au      -198.3088509671                                        
             1 ^3Au      -199.1597092279                                        
             2 ^3Au      -198.8790694101                                        
             3 ^3Au      -198.3538229659                                        

  1 a.u. =        27.21138 eV.  
  1 a.u. =    219474.62934 cm-1.
  

 *******************************************************************************
 *******************************************************************************
 *                                                                             *
 *                                                                             *
 *                      END OF COUPLED CLUSTER CALCULATION                     *
 *                                                                             *
 *                                                                             *
 *******************************************************************************
 *******************************************************************************


 CPU and wall time for CC :   27772.980    5465.553

 
     Date and time (Linux)  : Wed Oct  9 12:40:07 2019
     Host name              : nazare014.cluster                       


                      .-------------------------------------.
                      | End of Coupled Cluster Section (CC) |
                      `-------------------------------------'

  Total CPU  time used in DALTON:   7 hours 42 minutes 54 seconds
  Total wall time used in DALTON:   1 hour  31 minutes  6 seconds

 
     Date and time (Linux)  : Wed Oct  9 12:40:07 2019
     Host name              : nazare014.cluster