634 lines
36 KiB
Plaintext
634 lines
36 KiB
Plaintext
|
Entering Gaussian System, Link 0=g09
|
||
|
|
Input=Li.inp
|
||
|
|
Output=Li.out
|
||
|
|
Initial command:
|
||
|
|
/share/apps/gaussian/g09d01/nehalem/g09/l1.exe "/mnt/beegfs/tmpdir/42970/Gau-13495.inp" -scrdir="/mnt/beegfs/tmpdir/42970/"
|
||
|
|
Entering Link 1 = /share/apps/gaussian/g09d01/nehalem/g09/l1.exe PID= 13496.
|
||
|
|
|
||
|
|
Copyright (c) 1988,1990,1992,1993,1995,1998,2003,2009,2013,
|
||
|
|
Gaussian, Inc. All Rights Reserved.
|
||
|
|
|
||
|
|
This is part of the Gaussian(R) 09 program. It is based on
|
||
|
|
the Gaussian(R) 03 system (copyright 2003, Gaussian, Inc.),
|
||
|
|
the Gaussian(R) 98 system (copyright 1998, Gaussian, Inc.),
|
||
|
|
the Gaussian(R) 94 system (copyright 1995, Gaussian, Inc.),
|
||
|
|
the Gaussian 92(TM) system (copyright 1992, Gaussian, Inc.),
|
||
|
|
the Gaussian 90(TM) system (copyright 1990, Gaussian, Inc.),
|
||
|
|
the Gaussian 88(TM) system (copyright 1988, Gaussian, Inc.),
|
||
|
|
the Gaussian 86(TM) system (copyright 1986, Carnegie Mellon
|
||
|
|
University), and the Gaussian 82(TM) system (copyright 1983,
|
||
|
|
Carnegie Mellon University). Gaussian is a federally registered
|
||
|
|
trademark of Gaussian, Inc.
|
||
|
|
|
||
|
|
This software contains proprietary and confidential information,
|
||
|
|
including trade secrets, belonging to Gaussian, Inc.
|
||
|
|
|
||
|
|
This software is provided under written license and may be
|
||
|
|
used, copied, transmitted, or stored only in accord with that
|
||
|
|
written license.
|
||
|
|
|
||
|
|
The following legend is applicable only to US Government
|
||
|
|
contracts under FAR:
|
||
|
|
|
||
|
|
RESTRICTED RIGHTS LEGEND
|
||
|
|
|
||
|
|
Use, reproduction and disclosure by the US Government is
|
||
|
|
subject to restrictions as set forth in subparagraphs (a)
|
||
|
|
and (c) of the Commercial Computer Software - Restricted
|
||
|
|
Rights clause in FAR 52.227-19.
|
||
|
|
|
||
|
|
Gaussian, Inc.
|
||
|
|
340 Quinnipiac St., Bldg. 40, Wallingford CT 06492
|
||
|
|
|
||
|
|
|
||
|
|
---------------------------------------------------------------
|
||
|
|
Warning -- This program may not be used in any manner that
|
||
|
|
competes with the business of Gaussian, Inc. or will provide
|
||
|
|
assistance to any competitor of Gaussian, Inc. The licensee
|
||
|
|
of this program is prohibited from giving any competitor of
|
||
|
|
Gaussian, Inc. access to this program. By using this program,
|
||
|
|
the user acknowledges that Gaussian, Inc. is engaged in the
|
||
|
|
business of creating and licensing software in the field of
|
||
|
|
computational chemistry and represents and warrants to the
|
||
|
|
licensee that it is not a competitor of Gaussian, Inc. and that
|
||
|
|
it will not use this program in any manner prohibited above.
|
||
|
|
---------------------------------------------------------------
|
||
|
|
|
||
|
|
|
||
|
|
Cite this work as:
|
||
|
|
Gaussian 09, Revision D.01,
|
||
|
|
M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria,
|
||
|
|
M. A. Robb, J. R. Cheeseman, G. Scalmani, V. Barone, B. Mennucci,
|
||
|
|
G. A. Petersson, H. Nakatsuji, M. Caricato, X. Li, H. P. Hratchian,
|
||
|
|
A. F. Izmaylov, J. Bloino, G. Zheng, J. L. Sonnenberg, M. Hada,
|
||
|
|
M. Ehara, K. Toyota, R. Fukuda, J. Hasegawa, M. Ishida, T. Nakajima,
|
||
|
|
Y. Honda, O. Kitao, H. Nakai, T. Vreven, J. A. Montgomery, Jr.,
|
||
|
|
J. E. Peralta, F. Ogliaro, M. Bearpark, J. J. Heyd, E. Brothers,
|
||
|
|
K. N. Kudin, V. N. Staroverov, T. Keith, R. Kobayashi, J. Normand,
|
||
|
|
K. Raghavachari, A. Rendell, J. C. Burant, S. S. Iyengar, J. Tomasi,
|
||
|
|
M. Cossi, N. Rega, J. M. Millam, M. Klene, J. E. Knox, J. B. Cross,
|
||
|
|
V. Bakken, C. Adamo, J. Jaramillo, R. Gomperts, R. E. Stratmann,
|
||
|
|
O. Yazyev, A. J. Austin, R. Cammi, C. Pomelli, J. W. Ochterski,
|
||
|
|
R. L. Martin, K. Morokuma, V. G. Zakrzewski, G. A. Voth,
|
||
|
|
P. Salvador, J. J. Dannenberg, S. Dapprich, A. D. Daniels,
|
||
|
|
O. Farkas, J. B. Foresman, J. V. Ortiz, J. Cioslowski,
|
||
|
|
and D. J. Fox, Gaussian, Inc., Wallingford CT, 2013.
|
||
|
|
|
||
|
|
******************************************
|
||
|
|
Gaussian 09: ES64L-G09RevD.01 24-Apr-2013
|
||
|
|
4-Apr-2019
|
||
|
|
******************************************
|
||
|
|
-----------------------------------------
|
||
|
|
#p ROCCSD(T) aug-cc-pVQZ pop=full gfprint
|
||
|
|
-----------------------------------------
|
||
|
|
1/38=1/1;
|
||
|
|
2/12=2,17=6,18=5,40=1/2;
|
||
|
|
3/5=16,6=2,7=10,11=2,16=1,24=100,25=1,30=1,116=101/1,2,3;
|
||
|
|
4//1;
|
||
|
|
5/5=2,38=5/2;
|
||
|
|
8/5=-1,6=4,9=120000,10=1/1,4;
|
||
|
|
9/5=7,14=2/13;
|
||
|
|
6/7=3/1;
|
||
|
|
99/5=1,9=1/99;
|
||
|
|
Leave Link 1 at Thu Apr 4 10:12:24 2019, MaxMem= 0 cpu: 0.1
|
||
|
|
(Enter /share/apps/gaussian/g09d01/nehalem/g09/l101.exe)
|
||
|
|
--
|
||
|
|
G2
|
||
|
|
--
|
||
|
|
Symbolic Z-matrix:
|
||
|
|
Charge = 0 Multiplicity = 2
|
||
|
|
Li
|
||
|
|
|
||
|
|
NAtoms= 1 NQM= 1 NQMF= 0 NMMI= 0 NMMIF= 0
|
||
|
|
NMic= 0 NMicF= 0.
|
||
|
|
Isotopes and Nuclear Properties:
|
||
|
|
(Nuclear quadrupole moments (NQMom) in fm**2, nuclear magnetic moments (NMagM)
|
||
|
|
in nuclear magnetons)
|
||
|
|
|
||
|
|
Atom 1
|
||
|
|
IAtWgt= 7
|
||
|
|
AtmWgt= 7.0160045
|
||
|
|
NucSpn= 3
|
||
|
|
AtZEff= 0.0000000
|
||
|
|
NQMom= -4.0100000
|
||
|
|
NMagM= 3.2564240
|
||
|
|
AtZNuc= 3.0000000
|
||
|
|
Leave Link 101 at Thu Apr 4 10:12:24 2019, MaxMem= 33554432 cpu: 0.2
|
||
|
|
(Enter /share/apps/gaussian/g09d01/nehalem/g09/l202.exe)
|
||
|
|
Input orientation:
|
||
|
|
---------------------------------------------------------------------
|
||
|
|
Center Atomic Atomic Coordinates (Angstroms)
|
||
|
|
Number Number Type X Y Z
|
||
|
|
---------------------------------------------------------------------
|
||
|
|
1 3 0 0.000000 0.000000 0.000000
|
||
|
|
---------------------------------------------------------------------
|
||
|
|
Stoichiometry Li(2)
|
||
|
|
Framework group OH[O(Li)]
|
||
|
|
Deg. of freedom 0
|
||
|
|
Full point group OH NOp 48
|
||
|
|
Largest Abelian subgroup D2H NOp 8
|
||
|
|
Largest concise Abelian subgroup C1 NOp 1
|
||
|
|
Standard orientation:
|
||
|
|
---------------------------------------------------------------------
|
||
|
|
Center Atomic Atomic Coordinates (Angstroms)
|
||
|
|
Number Number Type X Y Z
|
||
|
|
---------------------------------------------------------------------
|
||
|
|
1 3 0 0.000000 0.000000 0.000000
|
||
|
|
---------------------------------------------------------------------
|
||
|
|
Leave Link 202 at Thu Apr 4 10:12:24 2019, MaxMem= 33554432 cpu: 0.0
|
||
|
|
(Enter /share/apps/gaussian/g09d01/nehalem/g09/l301.exe)
|
||
|
|
Standard basis: Aug-CC-pVQZ (5D, 7F)
|
||
|
|
Ernie: Thresh= 0.10000D-02 Tol= 0.10000D-05 Strict=F.
|
||
|
|
Ernie: 4 primitive shells out of 38 were deleted.
|
||
|
|
AO basis set (Overlap normalization):
|
||
|
|
Atom Li1 Shell 1 S 8 bf 1 - 1 0.000000000000 0.000000000000 0.000000000000
|
||
|
|
0.6601000000D+04 0.1534963359D-03
|
||
|
|
0.9897000000D+03 0.1189919425D-02
|
||
|
|
0.2257000000D+03 0.6164086158D-02
|
||
|
|
0.6429000000D+02 0.2499566437D-01
|
||
|
|
0.2118000000D+02 0.8150865025D-01
|
||
|
|
0.7724000000D+01 0.2084700247D+00
|
||
|
|
0.3003000000D+01 0.3876405408D+00
|
||
|
|
0.1212000000D+01 0.4220990342D+00
|
||
|
|
Atom Li1 Shell 2 S 6 bf 2 - 2 0.000000000000 0.000000000000 0.000000000000
|
||
|
|
0.6429000000D+02 -0.9040079530D-04
|
||
|
|
0.2118000000D+02 -0.1929584503D-02
|
||
|
|
0.7724000000D+01 -0.1208533263D-01
|
||
|
|
0.3003000000D+01 -0.6395278008D-01
|
||
|
|
0.1212000000D+01 -0.2564906978D+00
|
||
|
|
0.4930000000D+00 -0.7197275438D+00
|
||
|
|
Atom Li1 Shell 3 S 1 bf 3 - 3 0.000000000000 0.000000000000 0.000000000000
|
||
|
|
0.9515000000D-01 0.1000000000D+01
|
||
|
|
Atom Li1 Shell 4 S 1 bf 4 - 4 0.000000000000 0.000000000000 0.000000000000
|
||
|
|
0.4791000000D-01 0.1000000000D+01
|
||
|
|
Atom Li1 Shell 5 S 1 bf 5 - 5 0.000000000000 0.000000000000 0.000000000000
|
||
|
|
0.2220000000D-01 0.1000000000D+01
|
||
|
|
Atom Li1 Shell 6 S 1 bf 6 - 6 0.000000000000 0.000000000000 0.000000000000
|
||
|
|
0.6354410000D-02 0.1000000000D+01
|
||
|
|
Atom Li1 Shell 7 P 3 bf 7 - 9 0.000000000000 0.000000000000 0.000000000000
|
||
|
|
0.6250000000D+01 0.3647646386D-01
|
||
|
|
0.1370000000D+01 0.2079632160D+00
|
||
|
|
0.3672000000D+00 0.8516629861D+00
|
||
|
|
Atom Li1 Shell 8 P 1 bf 10 - 12 0.000000000000 0.000000000000 0.000000000000
|
||
|
|
0.1192000000D+00 0.1000000000D+01
|
||
|
|
Atom Li1 Shell 9 P 1 bf 13 - 15 0.000000000000 0.000000000000 0.000000000000
|
||
|
|
0.4474000000D-01 0.1000000000D+01
|
||
|
|
Atom Li1 Shell 10 P 1 bf 16 - 18 0.000000000000 0.000000000000 0.000000000000
|
||
|
|
0.1795000000D-01 0.1000000000D+01
|
||
|
|
Atom Li1 Shell 11 P 1 bf 19 - 21 0.000000000000 0.000000000000 0.000000000000
|
||
|
|
0.7718920000D-02 0.1000000000D+01
|
||
|
|
Atom Li1 Shell 12 D 1 bf 22 - 26 0.000000000000 0.000000000000 0.000000000000
|
||
|
|
0.3440000000D+00 0.1000000000D+01
|
||
|
|
Atom Li1 Shell 13 D 1 bf 27 - 31 0.000000000000 0.000000000000 0.000000000000
|
||
|
|
0.1530000000D+00 0.1000000000D+01
|
||
|
|
Atom Li1 Shell 14 D 1 bf 32 - 36 0.000000000000 0.000000000000 0.000000000000
|
||
|
|
0.6800000000D-01 0.1000000000D+01
|
||
|
|
Atom Li1 Shell 15 D 1 bf 37 - 41 0.000000000000 0.000000000000 0.000000000000
|
||
|
|
0.3036068000D-01 0.1000000000D+01
|
||
|
|
Atom Li1 Shell 16 F 1 bf 42 - 48 0.000000000000 0.000000000000 0.000000000000
|
||
|
|
0.2460000000D+00 0.1000000000D+01
|
||
|
|
Atom Li1 Shell 17 F 1 bf 49 - 55 0.000000000000 0.000000000000 0.000000000000
|
||
|
|
0.1292000000D+00 0.1000000000D+01
|
||
|
|
Atom Li1 Shell 18 F 1 bf 56 - 62 0.000000000000 0.000000000000 0.000000000000
|
||
|
|
0.5584945000D-01 0.1000000000D+01
|
||
|
|
Atom Li1 Shell 19 G 1 bf 63 - 71 0.000000000000 0.000000000000 0.000000000000
|
||
|
|
0.2380000000D+00 0.1000000000D+01
|
||
|
|
Atom Li1 Shell 20 G 1 bf 72 - 80 0.000000000000 0.000000000000 0.000000000000
|
||
|
|
0.1051422200D+00 0.1000000000D+01
|
||
|
|
There are 30 symmetry adapted cartesian basis functions of AG symmetry.
|
||
|
|
There are 10 symmetry adapted cartesian basis functions of B1G symmetry.
|
||
|
|
There are 10 symmetry adapted cartesian basis functions of B2G symmetry.
|
||
|
|
There are 10 symmetry adapted cartesian basis functions of B3G symmetry.
|
||
|
|
There are 3 symmetry adapted cartesian basis functions of AU symmetry.
|
||
|
|
There are 14 symmetry adapted cartesian basis functions of B1U symmetry.
|
||
|
|
There are 14 symmetry adapted cartesian basis functions of B2U symmetry.
|
||
|
|
There are 14 symmetry adapted cartesian basis functions of B3U symmetry.
|
||
|
|
There are 20 symmetry adapted basis functions of AG symmetry.
|
||
|
|
There are 8 symmetry adapted basis functions of B1G symmetry.
|
||
|
|
There are 8 symmetry adapted basis functions of B2G symmetry.
|
||
|
|
There are 8 symmetry adapted basis functions of B3G symmetry.
|
||
|
|
There are 3 symmetry adapted basis functions of AU symmetry.
|
||
|
|
There are 11 symmetry adapted basis functions of B1U symmetry.
|
||
|
|
There are 11 symmetry adapted basis functions of B2U symmetry.
|
||
|
|
There are 11 symmetry adapted basis functions of B3U symmetry.
|
||
|
|
80 basis functions, 123 primitive gaussians, 105 cartesian basis functions
|
||
|
|
2 alpha electrons 1 beta electrons
|
||
|
|
nuclear repulsion energy 0.0000000000 Hartrees.
|
||
|
|
IExCor= 0 DFT=F Ex=HF Corr=None ExCW=0 ScaHFX= 1.000000
|
||
|
|
ScaDFX= 1.000000 1.000000 1.000000 1.000000 ScalE2= 1.000000 1.000000
|
||
|
|
IRadAn= 0 IRanWt= -1 IRanGd= 0 ICorTp=0 IEmpDi= 4
|
||
|
|
NAtoms= 1 NActive= 1 NUniq= 1 SFac= 1.00D+00 NAtFMM= 60 NAOKFM=F Big=F
|
||
|
|
Integral buffers will be 131072 words long.
|
||
|
|
Raffenetti 2 integral format.
|
||
|
|
Two-electron integral symmetry is turned on.
|
||
|
|
Leave Link 301 at Thu Apr 4 10:12:24 2019, MaxMem= 33554432 cpu: 0.1
|
||
|
|
(Enter /share/apps/gaussian/g09d01/nehalem/g09/l302.exe)
|
||
|
|
NPDir=0 NMtPBC= 1 NCelOv= 1 NCel= 1 NClECP= 1 NCelD= 1
|
||
|
|
NCelK= 1 NCelE2= 1 NClLst= 1 CellRange= 0.0.
|
||
|
|
One-electron integrals computed using PRISM.
|
||
|
|
NBasis= 80 RedAO= T EigKep= 2.09D-02 NBF= 20 8 8 8 3 11 11 11
|
||
|
|
NBsUse= 80 1.00D-06 EigRej= -1.00D+00 NBFU= 20 8 8 8 3 11 11 11
|
||
|
|
Leave Link 302 at Thu Apr 4 10:12:25 2019, MaxMem= 33554432 cpu: 0.3
|
||
|
|
(Enter /share/apps/gaussian/g09d01/nehalem/g09/l303.exe)
|
||
|
|
DipDrv: MaxL=1.
|
||
|
|
Leave Link 303 at Thu Apr 4 10:12:25 2019, MaxMem= 33554432 cpu: 0.1
|
||
|
|
(Enter /share/apps/gaussian/g09d01/nehalem/g09/l401.exe)
|
||
|
|
ExpMin= 6.35D-03 ExpMax= 6.60D+03 ExpMxC= 6.43D+01 IAcc=3 IRadAn= 5 AccDes= 0.00D+00
|
||
|
|
Harris functional with IExCor= 205 and IRadAn= 5 diagonalized for initial guess.
|
||
|
|
HarFok: IExCor= 205 AccDes= 0.00D+00 IRadAn= 5 IDoV= 1 UseB2=F ITyADJ=14
|
||
|
|
ICtDFT= 3500011 ScaDFX= 1.000000 1.000000 1.000000 1.000000
|
||
|
|
FoFCou: FMM=F IPFlag= 0 FMFlag= 100000 FMFlg1= 0
|
||
|
|
NFxFlg= 0 DoJE=T BraDBF=F KetDBF=T FulRan=T
|
||
|
|
wScrn= 0.000000 ICntrl= 500 IOpCl= 0 I1Cent= 200000004 NGrid= 0
|
||
|
|
NMat0= 1 NMatS0= 1 NMatT0= 0 NMatD0= 1 NMtDS0= 0 NMtDT0= 0
|
||
|
|
Petite list used in FoFCou.
|
||
|
|
Harris En= -7.38815522398704
|
||
|
|
JPrj=0 DoOrth=F DoCkMO=F.
|
||
|
|
Initial guess orbital symmetries:
|
||
|
|
Occupied (A1G) (A1G)
|
||
|
|
Virtual (T1U) (T1U) (T1U) (A1G) (T1U) (T1U) (T1U) (T2G)
|
||
|
|
(T2G) (T2G) (EG) (EG) (A1G) (T1U) (T1U) (T1U)
|
||
|
|
(T2U) (T2U) (T2U) (A2U) (T1U) (T1U) (T1U) (T2G)
|
||
|
|
(T2G) (T2G) (EG) (EG) (T1U) (T1U) (T1U) (A1G)
|
||
|
|
(T1G) (T1G) (T1G) (T2G) (T2G) (T2G) (EG) (EG)
|
||
|
|
(A1G) (T2U) (T2U) (T2U) (A2U) (T1U) (T1U) (T1U)
|
||
|
|
(T2G) (T2G) (T2G) (EG) (EG) (T1U) (T1U) (T1U)
|
||
|
|
(T2U) (T2U) (T2U) (A2U) (T1U) (T1U) (T1U) (T1G)
|
||
|
|
(T1G) (T1G) (T2G) (T2G) (T2G) (EG) (EG) (A1G)
|
||
|
|
(T2G) (T2G) (T2G) (EG) (EG) (A1G)
|
||
|
|
The electronic state of the initial guess is 2-A1G.
|
||
|
|
Leave Link 401 at Thu Apr 4 10:12:26 2019, MaxMem= 33554432 cpu: 0.6
|
||
|
|
(Enter /share/apps/gaussian/g09d01/nehalem/g09/l502.exe)
|
||
|
|
Restricted open shell SCF:
|
||
|
|
Using DIIS extrapolation, IDIIS= 1040.
|
||
|
|
Integral symmetry usage will be decided dynamically.
|
||
|
|
Keep R1 and R2 ints in memory in symmetry-blocked form, NReq=9850447.
|
||
|
|
IVT= 53955 IEndB= 53955 NGot= 33554432 MDV= 32147206
|
||
|
|
LenX= 32147206 LenY= 32135740
|
||
|
|
Requested convergence on RMS density matrix=1.00D-08 within 128 cycles.
|
||
|
|
Requested convergence on MAX density matrix=1.00D-06.
|
||
|
|
Requested convergence on energy=1.00D-06.
|
||
|
|
No special actions if energy rises.
|
||
|
|
FoFCou: FMM=F IPFlag= 0 FMFlag= 0 FMFlg1= 0
|
||
|
|
NFxFlg= 0 DoJE=F BraDBF=F KetDBF=F FulRan=T
|
||
|
|
wScrn= 0.000000 ICntrl= 600 IOpCl= 0 I1Cent= 0 NGrid= 0
|
||
|
|
NMat0= 1 NMatS0= 3240 NMatT0= 0 NMatD0= 1 NMtDS0= 0 NMtDT0= 0
|
||
|
|
Petite list used in FoFCou.
|
||
|
|
|
||
|
|
Cycle 1 Pass 1 IDiag 1:
|
||
|
|
E= -7.42912443251932
|
||
|
|
DIIS: error= 2.48D-02 at cycle 1 NSaved= 1.
|
||
|
|
NSaved= 1 IEnMin= 1 EnMin= -7.42912443251932 IErMin= 1 ErrMin= 2.48D-02
|
||
|
|
ErrMax= 2.48D-02 0.00D+00 EMaxC= 1.00D-01 BMatC= 5.78D-03 BMatP= 5.78D-03
|
||
|
|
IDIUse=3 WtCom= 7.52D-01 WtEn= 2.48D-01
|
||
|
|
Coeff-Com: 0.100D+01
|
||
|
|
Coeff-En: 0.100D+01
|
||
|
|
Coeff: 0.100D+01
|
||
|
|
Gap= 0.077 Goal= None Shift= 0.000
|
||
|
|
GapD= 0.077 DampG=0.500 DampE=0.500 DampFc=0.2500 IDamp=-1.
|
||
|
|
Damping current iteration by 2.50D-01
|
||
|
|
RMSDP=1.06D-03 MaxDP=4.12D-02 OVMax= 1.83D-02
|
||
|
|
|
||
|
|
Cycle 2 Pass 1 IDiag 1:
|
||
|
|
E= -7.42994614030635 Delta-E= -0.000821707787 Rises=F Damp=T
|
||
|
|
DIIS: error= 1.90D-02 at cycle 2 NSaved= 2.
|
||
|
|
NSaved= 2 IEnMin= 2 EnMin= -7.42994614030635 IErMin= 2 ErrMin= 1.90D-02
|
||
|
|
ErrMax= 1.90D-02 0.00D+00 EMaxC= 1.00D-01 BMatC= 3.35D-03 BMatP= 5.78D-03
|
||
|
|
IDIUse=3 WtCom= 8.10D-01 WtEn= 1.90D-01
|
||
|
|
Coeff-Com: -0.313D+01 0.413D+01
|
||
|
|
Coeff-En: 0.000D+00 0.100D+01
|
||
|
|
Coeff: -0.254D+01 0.354D+01
|
||
|
|
Gap= 0.065 Goal= None Shift= 0.000
|
||
|
|
RMSDP=1.44D-03 MaxDP=6.69D-02 DE=-8.22D-04 OVMax= 1.00D-01
|
||
|
|
|
||
|
|
Cycle 3 Pass 1 IDiag 1:
|
||
|
|
E= -7.43157756493582 Delta-E= -0.001631424629 Rises=F Damp=F
|
||
|
|
DIIS: error= 3.93D-03 at cycle 3 NSaved= 3.
|
||
|
|
NSaved= 3 IEnMin= 3 EnMin= -7.43157756493582 IErMin= 3 ErrMin= 3.93D-03
|
||
|
|
ErrMax= 3.93D-03 0.00D+00 EMaxC= 1.00D-01 BMatC= 1.51D-04 BMatP= 3.35D-03
|
||
|
|
IDIUse=3 WtCom= 9.61D-01 WtEn= 3.93D-02
|
||
|
|
Coeff-Com: -0.186D+01 0.242D+01 0.439D+00
|
||
|
|
Coeff-En: 0.000D+00 0.000D+00 0.100D+01
|
||
|
|
Coeff: -0.178D+01 0.232D+01 0.461D+00
|
||
|
|
Gap= 0.067 Goal= None Shift= 0.000
|
||
|
|
RMSDP=1.19D-03 MaxDP=5.75D-02 DE=-1.63D-03 OVMax= 6.53D-02
|
||
|
|
|
||
|
|
Cycle 4 Pass 1 IDiag 1:
|
||
|
|
E= -7.43255848123034 Delta-E= -0.000980916295 Rises=F Damp=F
|
||
|
|
DIIS: error= 1.43D-03 at cycle 4 NSaved= 4.
|
||
|
|
NSaved= 4 IEnMin= 4 EnMin= -7.43255848123034 IErMin= 4 ErrMin= 1.43D-03
|
||
|
|
ErrMax= 1.43D-03 0.00D+00 EMaxC= 1.00D-01 BMatC= 1.92D-05 BMatP= 1.51D-04
|
||
|
|
IDIUse=3 WtCom= 9.86D-01 WtEn= 1.43D-02
|
||
|
|
Coeff-Com: -0.114D+01 0.148D+01 0.824D-01 0.576D+00
|
||
|
|
Coeff-En: 0.000D+00 0.000D+00 0.000D+00 0.100D+01
|
||
|
|
Coeff: -0.112D+01 0.146D+01 0.812D-01 0.582D+00
|
||
|
|
Gap= 0.067 Goal= None Shift= 0.000
|
||
|
|
RMSDP=3.25D-04 MaxDP=2.75D-02 DE=-9.81D-04 OVMax= 9.58D-03
|
||
|
|
|
||
|
|
Cycle 5 Pass 1 IDiag 1:
|
||
|
|
E= -7.43262244098523 Delta-E= -0.000063959755 Rises=F Damp=F
|
||
|
|
DIIS: error= 1.09D-03 at cycle 5 NSaved= 5.
|
||
|
|
NSaved= 5 IEnMin= 5 EnMin= -7.43262244098523 IErMin= 5 ErrMin= 1.09D-03
|
||
|
|
ErrMax= 1.09D-03 0.00D+00 EMaxC= 1.00D-01 BMatC= 9.99D-06 BMatP= 1.92D-05
|
||
|
|
IDIUse=3 WtCom= 9.89D-01 WtEn= 1.09D-02
|
||
|
|
Coeff-Com: -0.426D+00 0.558D+00-0.108D+00-0.541D+00 0.152D+01
|
||
|
|
Coeff-En: 0.000D+00 0.000D+00 0.000D+00 0.000D+00 0.100D+01
|
||
|
|
Coeff: -0.422D+00 0.551D+00-0.106D+00-0.535D+00 0.151D+01
|
||
|
|
Gap= 0.067 Goal= None Shift= 0.000
|
||
|
|
RMSDP=1.77D-04 MaxDP=8.78D-03 DE=-6.40D-05 OVMax= 1.57D-02
|
||
|
|
|
||
|
|
Cycle 6 Pass 1 IDiag 1:
|
||
|
|
E= -7.43268662728866 Delta-E= -0.000064186303 Rises=F Damp=F
|
||
|
|
DIIS: error= 3.80D-04 at cycle 6 NSaved= 6.
|
||
|
|
NSaved= 6 IEnMin= 6 EnMin= -7.43268662728866 IErMin= 6 ErrMin= 3.80D-04
|
||
|
|
ErrMax= 3.80D-04 0.00D+00 EMaxC= 1.00D-01 BMatC= 1.21D-06 BMatP= 9.99D-06
|
||
|
|
IDIUse=3 WtCom= 9.96D-01 WtEn= 3.80D-03
|
||
|
|
Coeff-Com: -0.308D-01 0.399D-01 0.340D-01-0.259D-01-0.613D+00 0.160D+01
|
||
|
|
Coeff-En: 0.000D+00 0.000D+00 0.000D+00 0.000D+00 0.000D+00 0.100D+01
|
||
|
|
Coeff: -0.307D-01 0.397D-01 0.338D-01-0.258D-01-0.610D+00 0.159D+01
|
||
|
|
Gap= 0.067 Goal= None Shift= 0.000
|
||
|
|
RMSDP=9.24D-05 MaxDP=5.44D-03 DE=-6.42D-05 OVMax= 7.61D-03
|
||
|
|
|
||
|
|
Cycle 7 Pass 1 IDiag 1:
|
||
|
|
E= -7.43269536900137 Delta-E= -0.000008741713 Rises=F Damp=F
|
||
|
|
DIIS: error= 2.88D-05 at cycle 7 NSaved= 7.
|
||
|
|
NSaved= 7 IEnMin= 7 EnMin= -7.43269536900137 IErMin= 7 ErrMin= 2.88D-05
|
||
|
|
ErrMax= 2.88D-05 0.00D+00 EMaxC= 1.00D-01 BMatC= 6.78D-09 BMatP= 1.21D-06
|
||
|
|
IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
|
||
|
|
Coeff-Com: 0.998D-03-0.129D-02-0.149D-02 0.627D-02 0.105D-01-0.125D+00
|
||
|
|
Coeff-Com: 0.111D+01
|
||
|
|
Coeff: 0.998D-03-0.129D-02-0.149D-02 0.627D-02 0.105D-01-0.125D+00
|
||
|
|
Coeff: 0.111D+01
|
||
|
|
Gap= 0.067 Goal= None Shift= 0.000
|
||
|
|
RMSDP=7.32D-06 MaxDP=3.51D-04 DE=-8.74D-06 OVMax= 6.47D-04
|
||
|
|
|
||
|
|
Cycle 8 Pass 1 IDiag 1:
|
||
|
|
E= -7.43269541852439 Delta-E= -0.000000049523 Rises=F Damp=F
|
||
|
|
DIIS: error= 1.29D-06 at cycle 8 NSaved= 8.
|
||
|
|
NSaved= 8 IEnMin= 8 EnMin= -7.43269541852439 IErMin= 8 ErrMin= 1.29D-06
|
||
|
|
ErrMax= 1.29D-06 0.00D+00 EMaxC= 1.00D-01 BMatC= 1.23D-11 BMatP= 6.78D-09
|
||
|
|
IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
|
||
|
|
Coeff-Com: 0.311D-03-0.407D-03-0.756D-04 0.592D-03 0.142D-02-0.131D-01
|
||
|
|
Coeff-Com: 0.127D+00 0.884D+00
|
||
|
|
Coeff: 0.311D-03-0.407D-03-0.756D-04 0.592D-03 0.142D-02-0.131D-01
|
||
|
|
Coeff: 0.127D+00 0.884D+00
|
||
|
|
Gap= 0.067 Goal= None Shift= 0.000
|
||
|
|
RMSDP=2.49D-07 MaxDP=1.37D-05 DE=-4.95D-08 OVMax= 2.10D-05
|
||
|
|
|
||
|
|
Cycle 9 Pass 1 IDiag 1:
|
||
|
|
E= -7.43269541861341 Delta-E= -0.000000000089 Rises=F Damp=F
|
||
|
|
DIIS: error= 2.98D-07 at cycle 9 NSaved= 9.
|
||
|
|
NSaved= 9 IEnMin= 9 EnMin= -7.43269541861341 IErMin= 9 ErrMin= 2.98D-07
|
||
|
|
ErrMax= 2.98D-07 0.00D+00 EMaxC= 1.00D-01 BMatC= 7.05D-13 BMatP= 1.23D-11
|
||
|
|
IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
|
||
|
|
Coeff-Com: -0.483D-06 0.114D-05-0.135D-04-0.420D-04 0.232D-03 0.853D-03
|
||
|
|
Coeff-Com: -0.109D-01-0.154D+00 0.116D+01
|
||
|
|
Coeff: -0.483D-06 0.114D-05-0.135D-04-0.420D-04 0.232D-03 0.853D-03
|
||
|
|
Coeff: -0.109D-01-0.154D+00 0.116D+01
|
||
|
|
Gap= 0.067 Goal= None Shift= 0.000
|
||
|
|
RMSDP=7.44D-08 MaxDP=3.74D-06 DE=-8.90D-11 OVMax= 6.41D-06
|
||
|
|
|
||
|
|
Cycle 10 Pass 1 IDiag 1:
|
||
|
|
E= -7.43269541861860 Delta-E= -0.000000000005 Rises=F Damp=F
|
||
|
|
DIIS: error= 1.98D-09 at cycle 10 NSaved= 10.
|
||
|
|
NSaved=10 IEnMin=10 EnMin= -7.43269541861860 IErMin=10 ErrMin= 1.98D-09
|
||
|
|
ErrMax= 1.98D-09 0.00D+00 EMaxC= 1.00D-01 BMatC= 2.45D-17 BMatP= 7.05D-13
|
||
|
|
IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
|
||
|
|
Coeff-Com: 0.909D-06-0.120D-05-0.574D-07 0.951D-06 0.856D-05-0.737D-04
|
||
|
|
Coeff-Com: 0.753D-03 0.990D-02-0.186D-01 0.101D+01
|
||
|
|
Coeff: 0.909D-06-0.120D-05-0.574D-07 0.951D-06 0.856D-05-0.737D-04
|
||
|
|
Coeff: 0.753D-03 0.990D-02-0.186D-01 0.101D+01
|
||
|
|
Gap= 0.067 Goal= None Shift= 0.000
|
||
|
|
RMSDP=9.07D-10 MaxDP=7.42D-08 DE=-5.19D-12 OVMax= 5.75D-08
|
||
|
|
|
||
|
|
SCF Done: E(ROHF) = -7.43269541862 A.U. after 10 cycles
|
||
|
|
NFock= 10 Conv=0.91D-09 -V/T= 2.0000
|
||
|
|
<Sx>= 0.0000 <Sy>= 0.0000 <Sz>= 0.5000 <S**2>= 0.7500 S= 0.5000
|
||
|
|
<L.S>= 0.000000000000E+00
|
||
|
|
KE= 7.432726001765D+00 PE=-1.714634168601D+01 EE= 2.280920265631D+00
|
||
|
|
Annihilation of the first spin contaminant:
|
||
|
|
S**2 before annihilation 0.7500, after 0.7500
|
||
|
|
Leave Link 502 at Thu Apr 4 10:12:33 2019, MaxMem= 33554432 cpu: 5.3
|
||
|
|
(Enter /share/apps/gaussian/g09d01/nehalem/g09/l801.exe)
|
||
|
|
Windowed orbitals will be sorted by symmetry type.
|
||
|
|
GenMOA: NOpAll= 48 NOp2=8 NOpUse= 48 JSym2X=1
|
||
|
|
FoFJK: IHMeth= 1 ICntrl= 0 DoSepK=F KAlg= 0 I1Cent= 0 FoldK=F
|
||
|
|
IRaf= 0 NMat= 1 IRICut= 1 DoRegI=T DoRafI=F ISym2E= 1.
|
||
|
|
FoFCou: FMM=F IPFlag= 0 FMFlag= 100000 FMFlg1= 0
|
||
|
|
NFxFlg= 0 DoJE=F BraDBF=F KetDBF=F FulRan=T
|
||
|
|
wScrn= 0.000000 ICntrl= 0 IOpCl= 1 I1Cent= 0 NGrid= 0
|
||
|
|
NMat0= 1 NMatS0= 1 NMatT0= 0 NMatD0= 1 NMtDS0= 0 NMtDT0= 0
|
||
|
|
Petite list used in FoFCou.
|
||
|
|
<Sx>= 0.0000 <Sy>= 0.0000 <Sz>= 0.5000 <S**2>= 0.7500 S= 0.5000
|
||
|
|
ExpMin= 6.35D-03 ExpMax= 6.60D+03 ExpMxC= 6.43D+01 IAcc=3 IRadAn= 5 AccDes= 0.00D+00
|
||
|
|
HarFok: IExCor= 205 AccDes= 0.00D+00 IRadAn= 5 IDoV=-2 UseB2=F ITyADJ=14
|
||
|
|
ICtDFT= 12500011 ScaDFX= 1.000000 1.000000 1.000000 1.000000
|
||
|
|
Largest valence mixing into a core orbital is 6.89D-04
|
||
|
|
Largest core mixing into a valence orbital is 2.51D-04
|
||
|
|
Range of M.O.s used for correlation: 2 80
|
||
|
|
NBasis= 80 NAE= 2 NBE= 1 NFC= 1 NFV= 0
|
||
|
|
NROrb= 79 NOA= 1 NOB= 0 NVA= 78 NVB= 79
|
||
|
|
*** There is no correlation energy for this system ***
|
||
|
|
Singles contribution to E2= -0.3190898203D-10
|
||
|
|
Leave Link 801 at Thu Apr 4 10:12:35 2019, MaxMem= 33554432 cpu: 1.6
|
||
|
|
(Enter /share/apps/gaussian/g09d01/nehalem/g09/l804.exe)
|
||
|
|
Open-shell transformation, MDV= 33554432 ITran=4 ISComp=2.
|
||
|
|
Semi-Direct transformation.
|
||
|
|
ModeAB= 2 MOrb= 1 LenV= 33138745
|
||
|
|
LASXX= 30954 LTotXX= 30954 LenRXX= 30954
|
||
|
|
LTotAB= 32878 MaxLAS= 439635 LenRXY= 439635
|
||
|
|
NonZer= 472815 LenScr= 1310720 LnRSAI= 0
|
||
|
|
LnScr1= 0 LExtra= 0 Total= 1781309
|
||
|
|
MaxDsk= -1 SrtSym= F ITran= 4
|
||
|
|
DoSDTr: NPSUse= 1
|
||
|
|
JobTyp=1 Pass 1: I= 1 to 1.
|
||
|
|
(rs|ai) integrals will be sorted in core.
|
||
|
|
Complete sort for first half transformation.
|
||
|
|
First half transformation complete.
|
||
|
|
Complete sort for second half transformation.
|
||
|
|
Second half transformation complete.
|
||
|
|
Spin components of T(2) and E(2):
|
||
|
|
alpha-alpha T2 = 0.0000000000D+00 E2= 0.0000000000D+00
|
||
|
|
alpha-beta T2 = 0.0000000000D+00 E2= 0.0000000000D+00
|
||
|
|
beta-beta T2 = 0.0000000000D+00 E2= 0.0000000000D+00
|
||
|
|
ANorm= 0.1000000000D+01
|
||
|
|
E2 = -0.3190898203D-10 EUMP2 = -0.74326954186505D+01
|
||
|
|
Leave Link 804 at Thu Apr 4 10:12:43 2019, MaxMem= 33554432 cpu: 6.4
|
||
|
|
(Enter /share/apps/gaussian/g09d01/nehalem/g09/l913.exe)
|
||
|
|
CIDS: MDV= 33554432.
|
||
|
|
Frozen-core window: NFC= 1 NFV= 0.
|
||
|
|
IFCWin=0 IBDFC=1 NFBD= 0 0 NFCmp= 0 0 NFFFC= 0 0
|
||
|
|
Using original routines for 1st iteration, S=T.
|
||
|
|
Using DD4UQ or CC4UQ for 2nd and later iterations.
|
||
|
|
Keep R2 and R3 ints in memory in symmetry-blocked form, NReq=9776265.
|
||
|
|
FoFCou: FMM=F IPFlag= 0 FMFlag= 0 FMFlg1= 0
|
||
|
|
NFxFlg= 0 DoJE=F BraDBF=F KetDBF=F FulRan=T
|
||
|
|
wScrn= 0.000000 ICntrl= 600 IOpCl= 0 I1Cent= 0 NGrid= 0
|
||
|
|
NMat0= 1 NMatS0= 3240 NMatT0= 0 NMatD0= 1 NMtDS0= 0 NMtDT0= 0
|
||
|
|
Petite list used in FoFCou.
|
||
|
|
CCSD(T)
|
||
|
|
=======
|
||
|
|
Iterations= 50 Convergence= 0.100D-06
|
||
|
|
Iteration Nr. 1
|
||
|
|
**********************
|
||
|
|
Illegal file or unit passed to FileIO.
|
||
|
|
FileIO: IOper= 2 IFilNo(1)= 0 Len= 0 IPos= 0 Q= 140326407416840
|
||
|
|
|
||
|
|
|
||
|
|
dumping /fiocom/, unit = 1 NFiles = 85 SizExt = 4194304 WInBlk = 65536
|
||
|
|
defal = F LstWrd = 7208960 FType=2 FMxFil=10000
|
||
|
|
|
||
|
|
Number 0 0 0 5 7 15
|
||
|
|
Base 4521984 4541059 5570560 4128768 4915200 4129656
|
||
|
|
End 4524339 4587520 7208960 4129656 4915702 4159722
|
||
|
|
End1 4524339 4587520 7208960 4129656 4915702 4159722
|
||
|
|
Wr Pntr 4521984 4541059 5570560 4128768 4915200 4159722
|
||
|
|
Rd Pntr 4521984 4541059 5570560 4129656 4915702 4159722
|
||
|
|
Length 2355 46461 1638400 888 502 30066
|
||
|
|
|
||
|
|
Number 16 25 30 110 201 203
|
||
|
|
Base 4915702 3997696 4194304 4063232 4128768 4915200
|
||
|
|
End 4948078 3997774 4194382 4063310 4159722 5354835
|
||
|
|
End1 4948078 4063232 4259840 4128768 4194304 5373952
|
||
|
|
Wr Pntr 4915702 3997696 4194382 4063232 4128768 4915200
|
||
|
|
Rd Pntr 4948078 3997774 4194382 4063232 4128768 4915200
|
||
|
|
Length 32376 78 78 78 30954 439635
|
||
|
|
|
||
|
|
Number 501 502 503 507 508 514
|
||
|
|
Base 458752 720896 983040 1048576 2621440 2818048
|
||
|
|
End 459752 725121 983044 1048598 2621470 2821288
|
||
|
|
End1 524288 786432 1048576 1114112 2686976 2883584
|
||
|
|
Wr Pntr 458752 720896 983040 1048576 2621440 2818048
|
||
|
|
Rd Pntr 458752 720896 983040 1048576 2621470 2818048
|
||
|
|
Length 1000 4225 4 22 30 3240
|
||
|
|
|
||
|
|
Number 515 516 517 518 520 521
|
||
|
|
Base 2752512 2686976 3014656 2949120 2424832 1638400
|
||
|
|
End 2765472 2696696 3014736 2958840 2424842 1638435
|
||
|
|
End1 2818048 2752512 3080192 3014656 2490368 1703936
|
||
|
|
Wr Pntr 2752512 2686976 3014656 2949120 2424832 1638400
|
||
|
|
Rd Pntr 2752512 2686976 3014656 2949120 2424832 1638400
|
||
|
|
Length 12960 9720 80 9720 10 35
|
||
|
|
|
||
|
|
Number 522 523 524 526 528 530
|
||
|
|
Base 3145728 3080192 3342336 3407872 3473408 3538944
|
||
|
|
End 3145888 3080352 3348736 3414272 3476648 3542184
|
||
|
|
End1 3211264 3145728 3407872 3473408 3538944 3604480
|
||
|
|
Wr Pntr 3145728 3080192 3342336 3407872 3473408 3538944
|
||
|
|
Rd Pntr 3145888 3080192 3342336 3407872 3473408 3538944
|
||
|
|
Length 160 160 6400 6400 3240 3240
|
||
|
|
|
||
|
|
Number 532 534 536 538 540 545
|
||
|
|
Base 3735552 3211264 3801088 3866624 3932160 4390912
|
||
|
|
End 3738792 3214504 3804328 3869864 3938560 4390940
|
||
|
|
End1 3801088 3276800 3866624 3932160 3997696 4456448
|
||
|
|
Wr Pntr 3735552 3211264 3801088 3866624 3932160 4390912
|
||
|
|
Rd Pntr 3735552 3211264 3804328 3869864 3932160 4390912
|
||
|
|
Length 3240 3240 3240 3240 6400 28
|
||
|
|
|
||
|
|
Number 547 548 549 551 552 559
|
||
|
|
Base 4587520 4653056 4718592 1376256 1245184 1900544
|
||
|
|
End 4587680 4665696 4724833 1376294 1245205 1900546
|
||
|
|
End1 4653056 4718592 4784128 1441792 1310720 1966080
|
||
|
|
Wr Pntr 4587520 4653056 4718592 1376256 1245184 1900544
|
||
|
|
Rd Pntr 4587678 4653056 4718592 1376256 1245184 1900544
|
||
|
|
Length 160 12640 6241 38 21 2
|
||
|
|
|
||
|
|
Number 561 562 563 564 565 569
|
||
|
|
Base 1441792 1179648 3604480 3670016 2162688 4325376
|
||
|
|
End 1441793 1185754 3604560 3670096 2163648 4325378
|
||
|
|
End1 1507328 1245184 3670016 3735552 2228224 4390912
|
||
|
|
Wr Pntr 1441792 1179648 3604480 3670016 2162688 4325376
|
||
|
|
Rd Pntr 1441792 1179648 3604480 3670016 2162688 4325376
|
||
|
|
Length 1 6106 80 80 960 2
|
||
|
|
|
||
|
|
Number 571 577 579 580 581 582
|
||
|
|
Base 4537819 2097152 1310720 1769472 1835008 2031616
|
||
|
|
End 4541059 2097204 1310728 1770952 1836560 2031856
|
||
|
|
End1 4541059 2162688 1376256 1835008 1900544 2097152
|
||
|
|
Wr Pntr 4537819 2097152 1310720 1769472 1835008 2031616
|
||
|
|
Rd Pntr 4537819 2097152 1310720 1769472 1835008 2031616
|
||
|
|
Length 3240 52 8 1480 1552 240
|
||
|
|
|
||
|
|
Number 583 584 598 600 603 605
|
||
|
|
Base 1966080 2228224 786432 5505024 2490368 2555904
|
||
|
|
End 1966082 2228230 786434 5506094 2490369 2555905
|
||
|
|
End1 2031616 2293760 851968 5570560 2555904 2621440
|
||
|
|
Wr Pntr 1966080 2228224 786432 5505024 2490368 2555904
|
||
|
|
Rd Pntr 1966080 2228224 786432 5505024 2490368 2555904
|
||
|
|
Length 2 6 2 1070 1 1
|
||
|
|
|
||
|
|
Number 606 607 619 634 670 674
|
||
|
|
Base 3276800 4456448 2293760 4524339 1703936 1114112
|
||
|
|
End 3276960 4456606 2293957 4537819 1704348 1114153
|
||
|
|
End1 3342336 4521984 2359296 4537819 1769472 1179648
|
||
|
|
Wr Pntr 3276800 4456448 2293760 4524339 1703936 1114112
|
||
|
|
Rd Pntr 3276800 4456448 2293760 4537819 1703936 1114112
|
||
|
|
Length 160 158 197 13480 412 41
|
||
|
|
|
||
|
|
Number 685 694 695 698 752 760
|
||
|
|
Base 2883584 4784128 2359296 1572864 4849664 4259840
|
||
|
|
End 2889984 4784286 2359355 1572870 4849682 4272640
|
||
|
|
End1 2949120 4849664 2424832 1638400 4915200 4325376
|
||
|
|
Wr Pntr 2883584 4784128 2359296 1572864 4849664 4259840
|
||
|
|
Rd Pntr 2883584 4784128 2359296 1572864 4849682 4259840
|
||
|
|
Length 6400 158 59 6 18 12800
|
||
|
|
|
||
|
|
Number 761 989 991 992 993 994
|
||
|
|
Base 1507328 524288 655360 589824 393216 65536
|
||
|
|
End 1507329 544288 661922 589833 393416 65566
|
||
|
|
End1 1572864 589824 720896 655360 458752 131072
|
||
|
|
Wr Pntr 1507328 524288 655360 589824 393216 65536
|
||
|
|
Rd Pntr 1507328 524288 655360 589824 393216 65536
|
||
|
|
Length 1 20000 6562 9 200 30
|
||
|
|
|
||
|
|
Number 995 996 997 998 999 1001
|
||
|
|
Base 327680 196608 262144 131072 851968 5373952
|
||
|
|
End 327700 196808 262236 131272 954472 5374023
|
||
|
|
End1 393216 262144 327680 196608 983040 5439488
|
||
|
|
Wr Pntr 327680 196608 262144 131272 851968 5373952
|
||
|
|
Rd Pntr 327680 196608 262144 131272 851968 5373952
|
||
|
|
Length 20 200 92 200 102504 71
|
||
|
|
|
||
|
|
Number 2999
|
||
|
|
Base 5439488
|
||
|
|
End 5439566
|
||
|
|
End1 5505024
|
||
|
|
Wr Pntr 5439566
|
||
|
|
Rd Pntr 5439566
|
||
|
|
Length 78
|
||
|
|
|
||
|
|
|
||
|
|
dumping /fiocom/, unit = 2 NFiles = 7 SizExt = 4194304 WInBlk = 65536
|
||
|
|
defal = F LstWrd = 131072 FType=2 FMxFil=10000
|
||
|
|
|
||
|
|
Number 0 508 522 536 538 634
|
||
|
|
Base 85886 65536 65766 79406 82646 65926
|
||
|
|
End 131072 65566 65926 82646 85886 79406
|
||
|
|
End1 131072 65566 65926 82646 85886 79406
|
||
|
|
Wr Pntr 85886 65536 65766 79406 82646 65926
|
||
|
|
Rd Pntr 85886 65536 65766 79406 82646 65926
|
||
|
|
Length 45186 30 160 3240 3240 13480
|
||
|
|
|
||
|
|
Number 998
|
||
|
|
Base 65566
|
||
|
|
End 65766
|
||
|
|
End1 65766
|
||
|
|
Wr Pntr 65566
|
||
|
|
Rd Pntr 65566
|
||
|
|
Length 200
|
||
|
|
|
||
|
|
|
||
|
|
dumping /fiocom/, unit = 3 NFiles = 1 SizExt = 524288 WInBlk = 65536
|
||
|
|
defal = T LstWrd = 131072 FType=2 FMxFil=10000
|
||
|
|
|
||
|
|
Number 0
|
||
|
|
Base 65536
|
||
|
|
End 131072
|
||
|
|
End1 131072
|
||
|
|
Wr Pntr 65536
|
||
|
|
Rd Pntr 65536
|
||
|
|
Length 65536
|
||
|
|
Error termination in NtrErr:
|
||
|
|
NtrErr Called from FileIO.
|