210 significant shell pairs computed in 0.000105 seconds 0 Computed Electron repulsion integrals Integrals in parallel in 3.599144 seconds ****************************************************************************************** * QuAcK QuAcK QuAcK * * __ __ __ __ __ __ __ __ __ * * <(o )___ <(o )___ <(o )___ <(o )___ <(o )___ <(o )___ <(o )___ <(o )___ <(o )___ * * ( ._> / ( ._> / ( ._> / ( ._> / ( ._> / ( ._> / ( ._> / ( ._> / ( ._> / * *|--------------------------------------------------------------------------------------|* ****************************************************************************************** ---------------------- Number of atoms 2 ---------------------- ---------------------- Number of spin-up electron 1 Number of spin-down electron 1 Total number of electron 2 ---------------------- ---------------------- Number of core electron 0 Number of Rydberg electron 0 ---------------------- ------------------ Molecular geometry ------------------ Atom n. 1 Z = 1.0000000000 Atom coordinates: 0.0000000000 0.0000000000 0.0000000000 Atom n. 2 Z = 1.0000000000 Atom coordinates: 0.0000000000 0.0000000000 4.1573974760 ------------------ Nuclear repulsion energy = 0.2405350958 ------------------ Gaussian basis set ------------------ Atom n. 1 number of shells 10 ------------------ s-type shell with K = 6 Exponents Contraction 82.6400000000 0.0020060000 12.4100000000 0.0153430000 2.8240000000 0.0755790000 0.7977000000 0.2568750000 0.2581000000 0.4973680000 0.0898900000 0.2961330000 s-type shell with K = 1 Exponents Contraction 0.7977000000 1.0000000000 s-type shell with K = 1 Exponents Contraction 0.2581000000 1.0000000000 s-type shell with K = 1 Exponents Contraction 0.0898900000 1.0000000000 p-type shell with K = 1 Exponents Contraction 2.2920000000 1.0000000000 p-type shell with K = 1 Exponents Contraction 0.8380000000 1.0000000000 p-type shell with K = 1 Exponents Contraction 0.2920000000 1.0000000000 d-type shell with K = 1 Exponents Contraction 2.0620000000 1.0000000000 d-type shell with K = 1 Exponents Contraction 0.6620000000 1.0000000000 f-type shell with K = 1 Exponents Contraction 1.3970000000 1.0000000000 ------------------ Atom n. 2 number of shells 10 ------------------ s-type shell with K = 6 Exponents Contraction 82.6400000000 0.0020060000 12.4100000000 0.0153430000 2.8240000000 0.0755790000 0.7977000000 0.2568750000 0.2581000000 0.4973680000 0.0898900000 0.2961330000 s-type shell with K = 1 Exponents Contraction 0.7977000000 1.0000000000 s-type shell with K = 1 Exponents Contraction 0.2581000000 1.0000000000 s-type shell with K = 1 Exponents Contraction 0.0898900000 1.0000000000 p-type shell with K = 1 Exponents Contraction 2.2920000000 1.0000000000 p-type shell with K = 1 Exponents Contraction 0.8380000000 1.0000000000 p-type shell with K = 1 Exponents Contraction 0.2920000000 1.0000000000 d-type shell with K = 1 Exponents Contraction 2.0620000000 1.0000000000 d-type shell with K = 1 Exponents Contraction 0.6620000000 1.0000000000 f-type shell with K = 1 Exponents Contraction 1.3970000000 1.0000000000 ------------------ Number of shells 20 ------------------ ------------------ Number of basis functions 70 ------------------ Scaling integrals by 1.0000000000000000 Total CPU time for reading integrals = 1.180 seconds Lowdin orthogonalization ************************************************ * Unrestricted Hartree-Fock calculation * ************************************************ ---------------------------------------------------------- | # | E(UHF) | Ex(UHF) | Conv | ---------------------------------------------------------- | 1 | -0.8813833684 | -0.4558012228 | 1.000000 | | 2 | -0.9153053824 | -0.4307138376 | 0.041199 | | 3 | -0.9380904244 | -0.4550892892 | 0.053888 | | 4 | -0.9675890792 | -0.5049561799 | 0.052724 | | 5 | -0.9892398860 | -0.5536490824 | 0.036830 | | 6 | -0.9984006744 | -0.5852343715 | 0.020502 | | 7 | -1.0011590155 | -0.6021257835 | 0.010251 | | 8 | -1.0018629896 | -0.6105482815 | 0.004912 | | 9 | -1.0020299610 | -0.6146445733 | 0.002319 | | 10 | -1.0020683135 | -0.6166151666 | 0.001091 | | 11 | -1.0020769983 | -0.6175574764 | 0.000513 | | 12 | -1.0020789524 | -0.6180064001 | 0.000242 | | 13 | -1.0020793908 | -0.6182197557 | 0.000114 | | 14 | -1.0020794890 | -0.6183209949 | 0.000054 | | 15 | -1.0020795110 | -0.6183689837 | 0.000025 | | 16 | -1.0020795159 | -0.6183917153 | 0.000012 | | 17 | -1.0020795170 | -0.6184024781 | 0.000006 | | 18 | -1.0020795172 | -0.6184075724 | 0.000003 | | 19 | -1.0020795173 | -0.6184099831 | 0.000001 | | 20 | -1.0020795173 | -0.6184111238 | 0.000001 | | 21 | -1.0020795173 | -0.6184116635 | 0.000000 | | 22 | -1.0020795173 | -0.6184119188 | 0.000000 | | 23 | -1.0020795173 | -0.6184120396 | 0.000000 | ---------------------------------------------------------- ------------------------------------------------- Summary ------------------------------------------------- One-electron energy: -1.4866167368 au One-electron a energy: -0.7433083684 au One-electron b energy: -0.7433083684 au Kinetic energy: 0.9858573583 au Kinetic a energy: 0.4929286791 au Kinetic b energy: 0.4929286791 au Potential energy: -2.4724740951 au Potential a energy: -1.2362370475 au Potential b energy: -1.2362370475 au ------------------------------------------------- Two-electron energy: 0.2440021237 au Two-electron aa energy: -0.0000000000 au Two-electron ab energy: 0.2440021237 au Two-electron bb energy: -0.0000000000 au Hartree energy: 0.8624141633 au Hartree aa energy: 0.3092060198 au Hartree ab energy: 0.2440021237 au Hartree bb energy: 0.3092060198 au Exchange energy: -0.6184120396 au Exchange a energy: -0.3092060198 au Exchange b energy: -0.3092060198 au ------------------------------------------------- Electronic energy: -1.2426146131 au Nuclear repulsion: 0.2405350958 au UHF energy: -1.0020795173 au ------------------------------------------------- UHF HOMO a energy: -13.586814 eV UHF LUMO a energy: 1.499625 eV UHF HOMOa-LUMOa gap: 15.086440 eV ------------------------------------------------- UHF HOMO b energy: -13.586814 eV UHF LUMO b energy: 1.499625 eV UHF HOMOb-LUMOb gap : 15.086440 eV ------------------------------------------------- S (exact) : 1.000000 S : 2.187091 (exact) : 0.000000 : 0.945842 ------------------------------------------------- Dipole moment (Debye) X Y Z Tot. -0.000000 0.000000 -0.000000 0.000000 ------------------------------------------------- ----------------------------------------- UHF spin-up orbital coefficients ----------------------------------------- 1 2 3 4 5 1 1.00353335 0.17023035 -0.10770070 -0.09784429 0.00000000 2 -0.00606363 0.00492305 -0.24888954 0.03739067 0.00000000 3 -0.00581103 0.02485222 2.66732221 -0.23700779 0.00000000 4 -0.00185718 0.18102398 -2.18441276 0.61079397 0.00000000 5 0.00000000 0.00000000 0.00000000 0.00000000 -0.33646687 6 0.00000000 0.00000000 0.00000000 0.00000000 -0.50858580 7 0.00062739 0.00007573 0.04456851 0.12055292 0.00000000 8 0.00000000 0.00000000 0.00000000 0.00000000 1.21434197 9 0.00000000 0.00000000 0.00000000 0.00000000 1.83553610 10 -0.00220868 -0.00852641 -0.15378501 -0.43505563 0.00000000 11 0.00000000 0.00000000 0.00000000 0.00000000 -0.68384162 12 0.00000000 0.00000000 0.00000000 0.00000000 -1.03365939 13 0.00270048 -0.01532097 0.09980031 0.27067616 0.00000000 14 0.00076858 -0.00050779 -0.02488197 -0.00003273 0.00000000 15 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 16 0.00000000 0.00000000 0.00000000 0.00000000 0.00062520 17 0.00076858 -0.00050779 -0.02488197 -0.00003273 0.00000000 18 0.00000000 0.00000000 0.00000000 0.00000000 0.00094502 19 0.00064706 -0.00026661 -0.02214933 0.00157784 0.00000000 20 0.00043511 -0.00089646 -0.27544868 0.02148692 0.00000000 21 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 22 0.00000000 0.00000000 0.00000000 0.00000000 -0.00421817 23 0.00043511 -0.00089646 -0.27544868 0.02148692 0.00000000 24 0.00000000 0.00000000 0.00000000 0.00000000 -0.00637596 25 0.00113552 -0.00270202 -0.28444957 0.02377884 0.00000000 26 0.00000000 0.00000000 0.00000000 0.00000000 -0.49002058 27 0.00000000 0.00000000 0.00000000 0.00000000 -0.33124645 28 0.00034762 0.00131996 0.02968099 0.08112116 0.00000000 29 0.00000000 0.00000000 0.00000000 0.00000000 -0.21914386 30 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 31 0.00000000 0.00000000 0.00000000 0.00000000 -0.21923258 32 0.00000000 0.00000000 0.00000000 0.00000000 -0.74068959 33 0.00034762 0.00131996 0.02968099 0.08112116 0.00000000 34 0.00000000 0.00000000 0.00000000 0.00000000 -0.33138056 35 0.00088142 0.00154573 0.06375813 0.17532667 0.00000000 36 0.05913767 -0.74170525 -0.01454619 0.00007417 0.00000000 37 -0.00548134 -0.02079051 -0.01003130 -0.36196267 0.00000000 38 -0.01708104 0.77723968 0.20930411 3.02702865 0.00000000 39 -0.00948024 -0.93999395 0.29349043 -2.08065055 0.00000000 40 0.00000000 0.00000000 0.00000000 0.00000000 -0.21521138 41 0.00000000 0.00000000 0.00000000 0.00000000 -0.32530231 42 -0.00057943 0.00502468 -0.07615205 -0.05995101 0.00000000 43 0.00000000 0.00000000 0.00000000 0.00000000 0.78337554 44 0.00000000 0.00000000 0.00000000 0.00000000 1.18410967 45 -0.00052547 -0.01989478 0.27909450 0.21186370 0.00000000 46 0.00000000 0.00000000 0.00000000 0.00000000 -0.40417924 47 0.00000000 0.00000000 0.00000000 0.00000000 -0.61093630 48 -0.00482338 0.00904699 -0.15991728 -0.11417558 0.00000000 49 0.00028661 -0.00887691 -0.00353341 -0.02624327 0.00000000 50 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 51 0.00000000 0.00000000 0.00000000 0.00000000 -0.00121355 52 0.00028661 -0.00887691 -0.00353341 -0.02624327 0.00000000 53 0.00000000 0.00000000 0.00000000 0.00000000 -0.00183435 54 0.00025681 -0.00825838 -0.00203770 -0.02283087 0.00000000 55 0.00019399 -0.07685198 -0.02337038 -0.31956853 0.00000000 56 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 57 0.00000000 0.00000000 0.00000000 0.00000000 0.00734703 58 0.00019399 -0.07685198 -0.02337038 -0.31956853 0.00000000 59 0.00000000 0.00000000 0.00000000 0.00000000 0.01110539 60 0.00155208 -0.07922261 -0.02383951 -0.33223765 0.00000000 61 0.00000000 0.00000000 0.00000000 0.00000000 -0.31484665 62 0.00000000 0.00000000 0.00000000 0.00000000 -0.21283154 63 -0.00012006 0.00330672 -0.05243853 -0.03997560 0.00000000 64 0.00000000 0.00000000 0.00000000 0.00000000 -0.14080370 65 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 66 0.00000000 0.00000000 0.00000000 0.00000000 -0.14095289 67 0.00000000 0.00000000 0.00000000 0.00000000 -0.47590580 68 -0.00012006 0.00330672 -0.05243853 -0.03997560 0.00000000 69 0.00000000 0.00000000 0.00000000 0.00000000 -0.21305705 70 -0.00029253 0.00765800 -0.11156621 -0.08643950 0.00000000 6 7 8 9 10 1 0.00000000 -0.06264226 0.00000000 0.00000000 0.35724460 2 0.00000000 0.05260082 0.00000000 0.00000000 0.09160429 3 0.00000000 -0.37355679 0.00000000 0.00000000 -0.83991051 4 0.00000000 0.21491715 0.00000000 0.00000000 0.80361227 5 0.50858580 0.00000000 -0.09150093 -0.37267861 0.00000000 6 -0.33646687 0.00000000 0.37267861 -0.09150093 0.00000000 7 0.00000000 0.45974680 0.00000000 0.00000000 0.57965166 8 -1.83553610 0.00000000 0.33013158 1.34460900 0.00000000 9 1.21434197 0.00000000 -1.34460900 0.33013158 0.00000000 10 0.00000000 -1.64243265 0.00000000 0.00000000 -2.11748986 11 1.03365939 0.00000000 -0.20026477 -0.81566812 0.00000000 12 -0.68384162 0.00000000 0.81566812 -0.20026477 0.00000000 13 0.00000000 0.97018601 0.00000000 0.00000000 1.45763071 14 0.00000000 -0.00073369 0.00000000 0.00000000 0.00753399 15 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 16 -0.00094502 0.00000000 -0.00086256 -0.00351318 0.00000000 17 0.00000000 -0.00073369 0.00000000 0.00000000 0.00753399 18 0.00062520 0.00000000 0.00351318 -0.00086256 0.00000000 19 0.00000000 0.00898770 0.00000000 0.00000000 0.00748580 20 0.00000000 0.05261455 0.00000000 0.00000000 0.09677494 21 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 22 0.00637596 0.00000000 0.00519848 0.02117315 0.00000000 23 0.00000000 0.05261455 0.00000000 0.00000000 0.09677494 24 -0.00421817 0.00000000 -0.02117315 0.00519848 0.00000000 25 0.00000000 0.01323704 0.00000000 0.00000000 0.06917329 26 0.74068959 0.00000000 -0.13254088 -0.53983219 0.00000000 27 -0.21914386 0.00000000 0.24142030 -0.05927408 0.00000000 28 0.00000000 0.30161403 0.00000000 0.00000000 0.36706582 29 0.33124645 0.00000000 -0.05927408 -0.24142030 0.00000000 30 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 31 0.33138056 0.00000000 -0.05910445 -0.24072938 0.00000000 32 -0.49002058 0.00000000 0.53983219 -0.13254088 0.00000000 33 0.00000000 0.30161403 0.00000000 0.00000000 0.36706582 34 -0.21923258 0.00000000 0.24072938 -0.05910445 0.00000000 35 0.00000000 0.66526377 0.00000000 0.00000000 0.83406759 36 0.00000000 -0.13071044 0.00000000 0.00000000 -0.24203583 37 0.00000000 0.11611962 0.00000000 0.00000000 -0.04570286 38 0.00000000 -0.71439717 0.00000000 0.00000000 0.58790852 39 0.00000000 0.32652977 0.00000000 0.00000000 -0.77515746 40 0.32530231 0.00000000 0.16241411 0.66150434 0.00000000 41 -0.21521138 0.00000000 -0.66150434 0.16241411 0.00000000 42 0.00000000 -0.39950907 0.00000000 0.00000000 0.69729941 43 -1.18410967 0.00000000 -0.59157783 -2.40946615 0.00000000 44 0.78337554 0.00000000 2.40946615 -0.59157783 0.00000000 45 0.00000000 1.43906260 0.00000000 0.00000000 -2.56051177 46 0.61093630 0.00000000 0.32563682 1.32630205 0.00000000 47 -0.40417924 0.00000000 -1.32630205 0.32563682 0.00000000 48 0.00000000 -0.76884222 0.00000000 0.00000000 1.64153456 49 0.00000000 0.00142801 0.00000000 0.00000000 -0.00495987 50 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 51 0.00183435 0.00000000 -0.00051851 -0.00211188 0.00000000 52 0.00000000 0.00142801 0.00000000 0.00000000 -0.00495987 53 -0.00121355 0.00000000 0.00211188 -0.00051851 0.00000000 54 0.00000000 0.01099973 0.00000000 0.00000000 -0.00595344 55 0.00000000 0.09012248 0.00000000 0.00000000 -0.06325519 56 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 57 -0.01110539 0.00000000 0.00296689 0.01208398 0.00000000 58 0.00000000 0.09012248 0.00000000 0.00000000 -0.06325519 59 0.00734703 0.00000000 -0.01208398 0.00296689 0.00000000 60 0.00000000 0.05433895 0.00000000 0.00000000 -0.03918215 61 0.47590580 0.00000000 0.23646059 0.96309184 0.00000000 62 -0.14080370 0.00000000 -0.43070777 0.10574839 0.00000000 63 0.00000000 -0.26450953 0.00000000 0.00000000 0.44544626 64 0.21283154 0.00000000 0.10574839 0.43070777 0.00000000 65 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 66 0.21305705 0.00000000 0.10567166 0.43039523 0.00000000 67 -0.31484665 0.00000000 -0.96309184 0.23646059 0.00000000 68 0.00000000 -0.26450953 0.00000000 0.00000000 0.44544626 69 -0.14095289 0.00000000 -0.43039523 0.10567166 0.00000000 70 0.00000000 -0.58045845 0.00000000 0.00000000 1.00689927 11 12 13 14 15 1 2.67915742 -0.91507585 0.45073836 0.00000000 0.00000000 2 1.24216086 -0.55191299 0.02154479 0.00000000 0.00000000 3 -6.28750080 2.52677404 -0.73855997 0.00000000 0.00000000 4 0.61541688 -0.42001114 -0.02631959 0.00000000 0.00000000 5 0.00000000 0.00000000 0.00000000 -0.73504800 -1.88658769 6 0.00000000 0.00000000 0.00000000 -1.88658769 0.73504800 7 0.05544618 0.24607065 -1.59507371 0.00000000 0.00000000 8 0.00000000 0.00000000 0.00000000 2.79175940 7.16538097 9 0.00000000 0.00000000 0.00000000 7.16538097 -2.79175940 10 -0.20462027 -0.92332992 5.95943281 0.00000000 0.00000000 11 0.00000000 0.00000000 0.00000000 -0.52192783 -1.33958955 12 0.00000000 0.00000000 0.00000000 -1.33958955 0.52192783 13 -0.00137800 0.39050398 -1.14330297 0.00000000 0.00000000 14 0.05440566 -0.02161505 0.05965768 0.00000000 0.00000000 15 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 16 0.00000000 0.00000000 0.00000000 0.00625753 0.01606069 17 0.05440566 -0.02161505 0.05965768 0.00000000 0.00000000 18 0.00000000 0.00000000 0.00000000 0.01606069 -0.00625753 19 0.05550839 -0.01244936 -0.07786269 0.00000000 0.00000000 20 0.89919430 -0.33973853 -0.17288656 0.00000000 0.00000000 21 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 22 0.00000000 0.00000000 0.00000000 -0.04248513 -0.10904312 23 0.89919430 -0.33973853 -0.17288656 0.00000000 0.00000000 24 0.00000000 0.00000000 0.00000000 -0.10904312 0.04248513 25 0.89094115 -0.42957553 0.71203681 0.00000000 0.00000000 26 0.00000000 0.00000000 0.00000000 -1.08630886 -2.78814028 27 0.00000000 0.00000000 0.00000000 -1.24689424 0.48581209 28 0.03800459 0.15526013 -1.07367267 0.00000000 0.00000000 29 0.00000000 0.00000000 0.00000000 -0.48581209 -1.24689424 30 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 31 0.00000000 0.00000000 0.00000000 -0.48660528 -1.24893004 32 0.00000000 0.00000000 0.00000000 -2.78814028 1.08630886 33 0.03800459 0.15526013 -1.07367267 0.00000000 0.00000000 34 0.00000000 0.00000000 0.00000000 -1.24893004 0.48660528 35 0.08358039 0.35825143 -2.35468382 0.00000000 0.00000000 36 0.97020995 2.75619159 0.58962534 0.00000000 0.00000000 37 0.31423115 1.29788847 0.07265799 0.00000000 0.00000000 38 -1.82786666 -6.43522258 -1.04976288 0.00000000 0.00000000 39 -0.00061093 0.63927555 0.12880554 0.00000000 0.00000000 40 0.00000000 0.00000000 0.00000000 -0.24255568 -0.62254785 41 0.00000000 0.00000000 0.00000000 -0.62254785 0.24255568 42 -0.23304031 0.08250540 1.12605967 0.00000000 0.00000000 43 0.00000000 0.00000000 0.00000000 0.91526010 2.34912339 44 0.00000000 0.00000000 0.00000000 2.34912339 -0.91526010 45 0.86723579 -0.31514238 -4.14124915 0.00000000 0.00000000 46 0.00000000 0.00000000 0.00000000 -0.13547114 -0.34770272 47 0.00000000 0.00000000 0.00000000 -0.34770272 0.13547114 48 -0.36190991 0.20881195 0.67161839 0.00000000 0.00000000 49 0.01789531 0.05745370 0.06092713 0.00000000 0.00000000 50 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 51 0.00000000 0.00000000 0.00000000 -0.01151331 -0.02955026 52 0.01789531 0.05745370 0.06092713 0.00000000 0.00000000 53 0.00000000 0.00000000 0.00000000 -0.02955026 0.01151331 54 0.02381027 0.05544962 -0.07178637 0.00000000 0.00000000 55 0.28767155 0.95231166 -0.10803743 0.00000000 0.00000000 56 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 57 0.00000000 0.00000000 0.00000000 0.07746216 0.19881581 58 0.28767155 0.95231166 -0.10803743 0.00000000 0.00000000 59 0.00000000 0.00000000 0.00000000 0.19881581 -0.07746216 60 0.22892596 0.98177957 0.70230757 0.00000000 0.00000000 61 0.00000000 0.00000000 0.00000000 -0.35957915 -0.92290246 62 0.00000000 0.00000000 0.00000000 -0.41273453 0.16080869 63 -0.14829309 0.04865983 0.77020308 0.00000000 0.00000000 64 0.00000000 0.00000000 0.00000000 -0.16080869 -0.41273453 65 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 66 0.00000000 0.00000000 0.00000000 -0.16186268 -0.41543972 67 0.00000000 0.00000000 0.00000000 -0.92290246 0.35957915 68 -0.14829309 0.04865983 0.77020308 0.00000000 0.00000000 69 0.00000000 0.00000000 0.00000000 -0.41543972 0.16186268 70 -0.34009480 0.11769700 1.66564793 0.00000000 0.00000000 16 17 18 19 20 1 0.00000000 0.00000000 -0.30565112 0.00000000 0.00000000 2 0.00000000 0.00000000 -0.05453616 0.00000000 0.00000000 3 0.00000000 0.00000000 0.60363418 0.00000000 0.00000000 4 0.00000000 0.00000000 -0.44270562 0.00000000 0.00000000 5 0.07159483 -0.84552963 0.00000000 -0.09366222 -0.32275253 6 0.84552963 0.07159483 0.00000000 -0.32275253 0.09366222 7 0.00000000 0.00000000 -1.52246050 0.00000000 0.00000000 8 -0.27225409 3.21530051 0.00000000 0.35561127 1.22540806 9 -3.21530051 -0.27225409 0.00000000 1.22540806 -0.35561127 10 0.00000000 0.00000000 5.88889317 0.00000000 0.00000000 11 0.05895391 -0.69624123 0.00000000 -0.07363526 -0.25374124 12 0.69624123 0.05895391 0.00000000 -0.25374124 0.07363526 13 0.00000000 0.00000000 -1.50804497 0.00000000 0.00000000 14 0.00000000 0.00000000 -0.01603488 0.00000000 0.00000000 15 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 16 0.00394525 -0.04659308 0.00000000 -0.02962532 -0.10208650 17 0.00000000 0.00000000 -0.01603488 0.00000000 0.00000000 18 0.04659308 0.00394525 0.00000000 -0.10208650 0.02962532 19 0.00000000 0.00000000 0.01151192 0.00000000 0.00000000 20 0.00000000 0.00000000 -0.01731758 0.00000000 0.00000000 21 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 22 -0.02792931 0.32984304 0.00000000 0.20841672 0.71818737 23 0.00000000 0.00000000 -0.01731758 0.00000000 0.00000000 24 -0.32984304 -0.02792931 0.00000000 0.71818737 -0.20841672 25 0.00000000 0.00000000 -0.14313197 0.00000000 0.00000000 26 0.10541723 -1.24496968 0.00000000 -0.13939478 -0.48034329 27 0.55676737 0.04714402 0.00000000 -0.21481605 0.06233924 28 0.00000000 0.00000000 -0.97987999 0.00000000 0.00000000 29 0.04714402 -0.55676737 0.00000000 -0.06233924 -0.21481605 30 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 31 0.04694602 -0.55442896 0.00000000 -0.06047558 -0.20839403 32 1.24496968 0.10541723 0.00000000 -0.48034329 0.13939478 33 0.00000000 0.00000000 -0.97987999 0.00000000 0.00000000 34 0.55442896 0.04694602 0.00000000 -0.20839403 0.06047558 35 0.00000000 0.00000000 -2.22966660 0.00000000 0.00000000 36 0.00000000 0.00000000 0.11554413 0.00000000 0.00000000 37 0.00000000 0.00000000 0.02853239 0.00000000 0.00000000 38 0.00000000 0.00000000 -0.16225419 0.00000000 0.00000000 39 0.00000000 0.00000000 0.38956135 0.00000000 0.00000000 40 -0.16862520 1.99145106 0.00000000 -0.21888527 -0.75426116 41 -1.99145106 -0.16862520 0.00000000 -0.75426116 0.21888527 42 0.00000000 0.00000000 -1.54164786 0.00000000 0.00000000 43 0.63735882 -7.52716011 0.00000000 0.82789332 2.85285432 44 7.52716011 0.63735882 0.00000000 2.85285432 -0.82789332 45 0.00000000 0.00000000 5.87772069 0.00000000 0.00000000 46 -0.11944276 1.41061007 0.00000000 -0.16823763 -0.57973343 47 -1.41061007 -0.11944276 0.00000000 -0.57973343 0.16823763 48 0.00000000 0.00000000 -1.47485296 0.00000000 0.00000000 49 0.00000000 0.00000000 -0.01701608 0.00000000 0.00000000 50 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 51 -0.00022780 0.00269031 0.00000000 0.02784335 0.09594596 52 0.00000000 0.00000000 -0.01701608 0.00000000 0.00000000 53 -0.00269031 -0.00022780 0.00000000 0.09594596 -0.02784335 54 0.00000000 0.00000000 0.03418268 0.00000000 0.00000000 55 0.00000000 0.00000000 0.12894800 0.00000000 0.00000000 56 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 57 0.00089233 -0.01053840 0.00000000 -0.18895832 -0.65113528 58 0.00000000 0.00000000 0.12894800 0.00000000 0.00000000 59 0.01053840 0.00089233 0.00000000 -0.65113528 0.18895832 60 0.00000000 0.00000000 -0.28442927 0.00000000 0.00000000 61 -0.24867156 2.93679256 0.00000000 -0.32376063 -1.11565328 62 -1.31337356 -0.11120930 0.00000000 -0.49893531 0.14479015 63 0.00000000 0.00000000 -0.99944216 0.00000000 0.00000000 64 -0.11120930 1.31337356 0.00000000 -0.14479015 -0.49893531 65 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 66 -0.11138954 1.31550211 0.00000000 -0.14244230 -0.49084479 67 -2.93679256 -0.24867156 0.00000000 -1.11565328 0.32376063 68 0.00000000 0.00000000 -0.99944216 0.00000000 0.00000000 69 -1.31550211 -0.11138954 0.00000000 -0.49084479 0.14244230 70 0.00000000 0.00000000 -2.25942029 0.00000000 0.00000000 21 22 23 24 25 1 0.11102818 0.00000000 0.00000000 0.00000000 0.00000000 2 0.04878863 0.00000000 0.00000000 0.00000000 0.00000000 3 -0.53001777 0.00000000 0.00000000 0.00000000 0.00000000 4 0.03682221 0.00000000 0.00000000 0.00000000 0.00000000 5 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 6 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 7 0.89199183 0.00000000 0.00000000 0.00000000 0.00000000 8 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 9 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 10 -3.40934679 0.00000000 0.00000000 0.00000000 0.00000000 11 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 12 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 13 0.56192353 0.00000000 0.00000000 0.00000000 0.00000000 14 0.03733167 -0.12253498 -0.00011666 -0.03421873 0.00005721 15 0.00000000 -0.00013471 0.14149121 0.00006606 0.03951239 16 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 17 0.03733167 0.12253498 0.00011666 0.03421873 -0.00005721 18 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 19 -0.05235288 0.00000000 0.00000000 0.00000000 0.00000000 20 -0.14218270 0.89762207 0.00085461 0.25896277 -0.00043297 21 0.00000000 0.00098682 -1.03648469 -0.00049996 -0.29902445 22 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 23 -0.14218270 -0.89762207 -0.00085461 -0.25896277 0.00043297 24 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 25 0.58419849 0.00000000 0.00000000 0.00000000 0.00000000 26 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 27 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 28 0.59409570 0.00022402 0.00000021 -0.00129395 0.00000216 29 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 30 0.00000000 0.00000025 -0.00025868 0.00000250 0.00149412 31 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 32 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 33 0.59409570 -0.00022402 -0.00000021 0.00129395 -0.00000216 34 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 35 1.31103832 0.00000000 0.00000000 0.00000000 0.00000000 36 0.20208366 0.00000000 0.00000000 0.00000000 0.00000000 37 0.08492988 0.00000000 0.00000000 0.00000000 0.00000000 38 -0.71414792 0.00000000 0.00000000 0.00000000 0.00000000 39 0.17177659 0.00000000 0.00000000 0.00000000 0.00000000 40 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 41 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 42 -1.46079522 0.00000000 0.00000000 0.00000000 0.00000000 43 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 44 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 45 5.57261911 0.00000000 0.00000000 0.00000000 0.00000000 46 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 47 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 48 -1.04368657 0.00000000 0.00000000 0.00000000 0.00000000 49 0.03525363 -0.03674314 -0.00003498 0.12474757 -0.00020857 50 0.00000000 -0.00004039 0.04242732 -0.00024084 -0.14404608 51 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 52 0.03525363 0.03674314 0.00003498 -0.12474757 0.00020857 53 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 54 -0.04531390 0.00000000 0.00000000 0.00000000 0.00000000 55 -0.09168370 0.25701629 0.00024470 -0.89960801 0.00150411 56 0.00000000 0.00028256 -0.29677685 0.00173679 1.03877785 57 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 58 -0.09168370 -0.25701629 -0.00024470 0.89960801 -0.00150411 59 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 60 0.51566381 0.00000000 0.00000000 0.00000000 0.00000000 61 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 62 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 63 -0.95998325 -0.00117963 -0.00000112 -0.00046159 0.00000077 64 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 65 0.00000000 -0.00000130 0.00136211 0.00000089 0.00053300 66 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 67 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 68 -0.95998325 0.00117963 0.00000112 0.00046159 -0.00000077 69 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 70 -2.14432024 0.00000000 0.00000000 0.00000000 0.00000000 26 27 28 29 30 1 0.00000000 0.00000000 -0.05855040 1.81368262 0.02446975 2 0.00000000 0.00000000 -0.34415150 -0.10833297 -0.18446135 3 0.00000000 0.00000000 0.29650440 -6.34554768 0.63483977 4 0.00000000 0.00000000 0.29418363 0.53024232 -0.20867432 5 0.25563424 -0.34644290 0.00000000 0.00000000 0.00000000 6 -0.34644290 -0.25563424 0.00000000 0.00000000 0.00000000 7 0.00000000 0.00000000 0.84669458 -0.19651750 -0.07041180 8 -0.98255607 1.33158835 0.00000000 0.00000000 0.00000000 9 1.33158835 0.98255607 0.00000000 0.00000000 0.00000000 10 0.00000000 0.00000000 -3.20814819 0.72679601 0.23365915 11 0.25328290 -0.34325630 0.00000000 0.00000000 0.00000000 12 -0.34325630 -0.25328290 0.00000000 0.00000000 0.00000000 13 0.00000000 0.00000000 1.22180314 -0.22793574 0.13456556 14 0.00000000 0.00000000 0.05234418 0.12247497 0.01007944 15 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 16 -0.05106539 0.06920529 0.00000000 0.00000000 0.00000000 17 0.00000000 0.00000000 0.05234418 0.12247497 0.01007944 18 0.06920529 0.05106539 0.00000000 0.00000000 0.00000000 19 0.00000000 0.00000000 -0.07073600 0.13440469 -0.02121508 20 0.00000000 0.00000000 -0.34783989 2.00512160 -0.23427637 21 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 22 0.41483096 -0.56219089 0.00000000 0.00000000 0.00000000 23 0.00000000 0.00000000 -0.34783989 2.00512160 -0.23427637 24 -0.56219089 -0.41483096 0.00000000 0.00000000 0.00000000 25 0.00000000 0.00000000 0.89501370 1.79073912 0.01628135 26 0.37694891 -0.51085204 0.00000000 0.00000000 0.00000000 27 -0.22845998 -0.16857668 0.00000000 0.00000000 0.00000000 28 0.00000000 0.00000000 0.56861595 -0.13866673 -0.05677052 29 0.16857668 -0.22845998 0.00000000 0.00000000 0.00000000 30 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 31 0.16053078 -0.21755595 0.00000000 0.00000000 0.00000000 32 -0.51085204 -0.37694891 0.00000000 0.00000000 0.00000000 33 0.00000000 0.00000000 0.56861595 -0.13866673 -0.05677052 34 -0.21755595 -0.16053078 0.00000000 0.00000000 0.00000000 35 0.00000000 0.00000000 1.19987307 -0.27762942 -0.11415621 36 0.00000000 0.00000000 0.10513864 0.25987816 1.79378190 37 0.00000000 0.00000000 0.34769367 -0.21401435 -0.15997134 38 0.00000000 0.00000000 -0.46008284 -0.18107962 -6.25624223 39 0.00000000 0.00000000 -0.28465934 -0.13527438 0.53184879 40 -0.27212320 0.36878922 0.00000000 0.00000000 0.00000000 41 0.36878922 0.27212320 0.00000000 0.00000000 0.00000000 42 0.00000000 0.00000000 0.88837685 0.08020710 0.16310647 43 1.03921259 -1.40837090 0.00000000 0.00000000 0.00000000 44 -1.40837090 -1.03921259 0.00000000 0.00000000 0.00000000 45 0.00000000 0.00000000 -3.36423716 -0.26832916 -0.60479844 46 -0.25467104 0.34513755 0.00000000 0.00000000 0.00000000 47 0.34513755 0.25467104 0.00000000 0.00000000 0.00000000 48 0.00000000 0.00000000 1.24504330 -0.13371575 0.21238779 49 0.00000000 0.00000000 -0.05255688 0.02785024 0.11748650 50 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 51 -0.06274681 0.08503629 0.00000000 0.00000000 0.00000000 52 0.00000000 0.00000000 -0.05255688 0.02785024 0.11748650 53 0.08503629 0.06274681 0.00000000 0.00000000 0.00000000 54 0.00000000 0.00000000 0.08205197 -0.00676965 0.13169742 55 0.00000000 0.00000000 0.41856750 0.01666861 1.99010923 56 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 57 0.48561650 -0.65812150 0.00000000 0.00000000 0.00000000 58 0.00000000 0.00000000 0.41856750 0.01666861 1.99010923 59 -0.65812150 -0.48561650 0.00000000 0.00000000 0.00000000 60 0.00000000 0.00000000 -0.87793356 0.27938233 1.77229292 61 -0.40061085 0.54291938 0.00000000 0.00000000 0.00000000 62 0.24280093 0.17915862 0.00000000 0.00000000 0.00000000 63 0.00000000 0.00000000 0.59490522 0.06411297 0.11467101 64 -0.17915862 0.24280093 0.00000000 0.00000000 0.00000000 65 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 66 -0.17221267 0.23338758 0.00000000 0.00000000 0.00000000 67 0.54291938 0.40061085 0.00000000 0.00000000 0.00000000 68 0.00000000 0.00000000 0.59490522 0.06411297 0.11467101 69 0.23338758 0.17221267 0.00000000 0.00000000 0.00000000 70 0.00000000 0.00000000 1.26081879 0.12805418 0.22837063 31 32 33 34 35 1 0.26340051 0.00000000 0.00000000 0.00000000 0.00000000 2 -0.09640119 0.00000000 0.00000000 0.00000000 0.00000000 3 -0.13285229 0.00000000 0.00000000 0.00000000 0.00000000 4 -0.09160049 0.00000000 0.00000000 0.00000000 0.00000000 5 0.00000000 1.18697481 -3.50842607 -0.10149683 -1.86125108 6 0.00000000 3.50842607 1.18697481 1.86125108 -0.10149683 7 -3.19327802 0.00000000 0.00000000 0.00000000 0.00000000 8 0.00000000 -3.69494721 10.92141885 0.31754054 5.82306546 9 0.00000000 -10.92141885 -3.69494721 -5.82306546 0.31754054 10 10.04569741 0.00000000 0.00000000 0.00000000 0.00000000 11 0.00000000 0.37016029 -1.09410915 -0.03605505 -0.66117835 12 0.00000000 1.09410915 0.37016029 0.66117835 -0.03605505 13 -1.04506991 0.00000000 0.00000000 0.00000000 0.00000000 14 0.01966414 0.00000000 0.00000000 0.00000000 0.00000000 15 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 16 0.00000000 0.00043789 -0.00129431 -0.00005337 -0.00097875 17 0.01966414 0.00000000 0.00000000 0.00000000 0.00000000 18 0.00000000 0.00129431 0.00043789 0.00097875 -0.00005337 19 -0.01489008 0.00000000 0.00000000 0.00000000 0.00000000 20 0.04907363 0.00000000 0.00000000 0.00000000 0.00000000 21 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 22 0.00000000 -0.00287917 0.00851017 -0.00223134 -0.04091842 23 0.04907363 0.00000000 0.00000000 0.00000000 0.00000000 24 0.00000000 -0.00851017 -0.00287917 0.04091842 -0.00223134 25 -0.01540854 0.00000000 0.00000000 0.00000000 0.00000000 26 0.00000000 1.77621622 -5.25008889 -0.15150247 -2.77825565 27 0.00000000 2.34791113 0.79434804 1.24247370 -0.06775396 28 -2.18108726 0.00000000 0.00000000 0.00000000 0.00000000 29 0.00000000 0.79434804 -2.34791113 -0.06775396 -1.24247370 30 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 31 0.00000000 0.79457055 -2.34856881 -0.06687645 -1.22638177 32 0.00000000 5.25008889 1.77621622 2.77825565 -0.15150247 33 -2.18108726 0.00000000 0.00000000 0.00000000 0.00000000 34 0.00000000 2.34856881 0.79457055 1.22638177 -0.06687645 35 -4.73806070 0.00000000 0.00000000 0.00000000 0.00000000 36 0.29093807 0.00000000 0.00000000 0.00000000 0.00000000 37 -0.10393883 0.00000000 0.00000000 0.00000000 0.00000000 38 -0.16527192 0.00000000 0.00000000 0.00000000 0.00000000 39 -0.05777783 0.00000000 0.00000000 0.00000000 0.00000000 40 0.00000000 0.55346546 -1.63591732 0.20382064 3.73766741 41 0.00000000 1.63591732 0.55346546 -3.73766741 0.20382064 42 2.81825975 0.00000000 0.00000000 0.00000000 0.00000000 43 0.00000000 -1.71705341 5.07521715 -0.63591680 -11.66145640 44 0.00000000 -5.07521715 -1.71705341 11.66145640 -0.63591680 45 -8.86606658 0.00000000 0.00000000 0.00000000 0.00000000 46 0.00000000 0.15504785 -0.45828598 0.06668316 1.22283723 47 0.00000000 0.45828598 0.15504785 -1.22283723 0.06668316 48 0.87621657 0.00000000 0.00000000 0.00000000 0.00000000 49 0.02094649 0.00000000 0.00000000 0.00000000 0.00000000 50 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 51 0.00000000 -0.00027975 0.00082686 -0.00007349 -0.00134769 52 0.02094649 0.00000000 0.00000000 0.00000000 0.00000000 53 0.00000000 -0.00082686 -0.00027975 0.00134769 -0.00007349 54 -0.01464547 0.00000000 0.00000000 0.00000000 0.00000000 55 0.04950883 0.00000000 0.00000000 0.00000000 0.00000000 56 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 57 0.00000000 0.01085792 -0.03209353 -0.00146705 -0.02690286 58 0.04950883 0.00000000 0.00000000 0.00000000 0.00000000 59 0.00000000 0.03209353 0.01085792 0.02690286 -0.00146705 60 -0.00442933 0.00000000 0.00000000 0.00000000 0.00000000 61 0.00000000 0.83195014 -2.45905432 0.30549376 5.60215143 62 0.00000000 1.09972253 0.37205941 -2.50535828 0.13662096 63 1.94029131 0.00000000 0.00000000 0.00000000 0.00000000 64 0.00000000 0.37205941 -1.09972253 0.13662096 2.50535828 65 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 66 0.00000000 0.37517623 -1.10893512 0.13598276 2.49365481 67 0.00000000 2.45905432 0.83195014 -5.60215143 0.30549376 68 1.94029131 0.00000000 0.00000000 0.00000000 0.00000000 69 0.00000000 1.10893512 0.37517623 -2.49365481 0.13598276 70 4.19288977 0.00000000 0.00000000 0.00000000 0.00000000 36 37 38 39 40 1 0.26327474 -0.43287242 0.00000000 0.00000000 0.00000000 2 -0.08848625 0.17047106 0.00000000 0.00000000 0.00000000 3 -0.27207094 0.29986594 0.00000000 0.00000000 0.00000000 4 0.25755400 0.09083083 0.00000000 0.00000000 0.00000000 5 0.00000000 0.00000000 -0.02183183 -0.01004326 0.00000000 6 0.00000000 0.00000000 0.01004326 -0.02183183 0.00000000 7 3.05531918 -0.26066765 0.00000000 0.00000000 0.00000000 8 0.00000000 0.00000000 0.07539783 0.03468515 0.00000000 9 0.00000000 0.00000000 -0.03468515 0.07539783 0.00000000 10 -9.59284320 0.75791446 0.00000000 0.00000000 0.00000000 11 0.00000000 0.00000000 -0.01347981 -0.00620110 0.00000000 12 0.00000000 0.00000000 0.00620110 -0.01347981 0.00000000 13 1.33692989 -0.09529194 0.00000000 0.00000000 0.00000000 14 0.01510265 -0.02651925 0.00000000 0.00000000 0.00037635 15 0.00000000 0.00000000 0.00000000 0.00000000 -0.00000111 16 0.00000000 0.00000000 -0.00568571 -0.00261559 0.00000000 17 0.01510265 -0.02651925 0.00000000 0.00000000 -0.00037635 18 0.00000000 0.00000000 0.00261559 -0.00568571 0.00000000 19 -0.00564233 -0.00620764 0.00000000 0.00000000 0.00000000 20 -0.00084988 -0.02426272 0.00000000 0.00000000 -0.00017476 21 0.00000000 0.00000000 0.00000000 0.00000000 0.00000052 22 0.00000000 0.00000000 -0.00056987 -0.00026216 0.00000000 23 -0.00084988 -0.02426272 0.00000000 0.00000000 0.00017476 24 0.00000000 0.00000000 0.00026216 -0.00056987 0.00000000 25 0.11035332 -0.01790862 0.00000000 0.00000000 0.00000000 26 0.00000000 0.00000000 -0.54183941 -0.24926158 0.00000000 27 0.00000000 0.00000000 0.11147317 -0.24231795 0.00000000 28 1.97961538 0.37508605 0.00000000 0.00000000 -0.86412305 29 0.00000000 0.00000000 -0.24231795 -0.11147317 0.00000000 30 0.00000000 0.00000000 0.00000000 0.00000000 0.00254881 31 0.00000000 0.00000000 0.89551494 0.41196240 0.00000000 32 0.00000000 0.00000000 0.24926158 -0.54183941 0.00000000 33 1.97961538 0.37508605 0.00000000 0.00000000 0.86412305 34 0.00000000 0.00000000 -0.41196240 0.89551494 0.00000000 35 4.53690321 -1.12269662 0.00000000 0.00000000 0.00000000 36 -0.22703707 -0.51508731 0.00000000 0.00000000 0.00000000 37 0.07509723 0.17918060 0.00000000 0.00000000 0.00000000 38 0.25105936 0.43072774 0.00000000 0.00000000 0.00000000 39 -0.26703398 0.10113351 0.00000000 0.00000000 0.00000000 40 0.00000000 0.00000000 -0.10534420 -0.04846133 0.00000000 41 0.00000000 0.00000000 0.04846133 -0.10534420 0.00000000 42 3.37223937 0.27104814 0.00000000 0.00000000 0.00000000 43 0.00000000 0.00000000 0.35014903 0.16107853 0.00000000 44 0.00000000 0.00000000 -0.16107853 0.35014903 0.00000000 45 -10.59692653 -0.75409367 0.00000000 0.00000000 0.00000000 46 0.00000000 0.00000000 -0.06604498 -0.03038257 0.00000000 47 0.00000000 0.00000000 0.03038257 -0.06604498 0.00000000 48 1.43426689 0.05878841 0.00000000 0.00000000 0.00000000 49 -0.01242431 -0.03928651 0.00000000 0.00000000 0.00250164 50 0.00000000 0.00000000 0.00000000 0.00000000 -0.00000738 51 0.00000000 0.00000000 0.01741148 0.00800977 0.00000000 52 -0.01242431 -0.03928651 0.00000000 0.00000000 -0.00250164 53 0.00000000 0.00000000 -0.00800977 0.01741148 0.00000000 54 0.00360820 0.00456235 0.00000000 0.00000000 0.00000000 55 0.00621959 -0.05299308 0.00000000 0.00000000 0.00108681 56 0.00000000 0.00000000 0.00000000 0.00000000 -0.00000321 57 0.00000000 0.00000000 0.00758101 0.00348748 0.00000000 58 0.00621959 -0.05299308 0.00000000 0.00000000 -0.00108681 59 0.00000000 0.00000000 -0.00348748 0.00758101 0.00000000 60 -0.11013811 -0.02582841 0.00000000 0.00000000 0.00000000 61 0.00000000 0.00000000 -0.37698763 -0.17342505 0.00000000 62 0.00000000 0.00000000 0.07755804 -0.16859399 0.00000000 63 2.20493456 -0.25517278 0.00000000 0.00000000 0.05713726 64 0.00000000 0.00000000 -0.16859399 -0.07755804 0.00000000 65 0.00000000 0.00000000 0.00000000 0.00000000 -0.00016853 66 0.00000000 0.00000000 0.33304596 0.15321063 0.00000000 67 0.00000000 0.00000000 0.17342505 -0.37698763 0.00000000 68 2.20493456 -0.25517278 0.00000000 0.00000000 -0.05713726 69 0.00000000 0.00000000 -0.15321063 0.33304596 0.00000000 70 5.01784101 0.95550650 0.00000000 0.00000000 0.00000000 41 42 43 44 45 1 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 2 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 3 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 4 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 5 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 6 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 7 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 8 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 9 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 10 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 11 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 12 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 13 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 14 -0.00000096 0.00000000 0.00000000 0.00000000 0.00000000 15 -0.00043457 0.00000000 0.00000000 0.00000000 0.00000000 16 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 17 0.00000096 0.00000000 0.00000000 0.00000000 0.00000000 18 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 19 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 20 0.00000045 0.00000000 0.00000000 0.00000000 0.00000000 21 0.00020180 0.00000000 0.00000000 0.00000000 0.00000000 22 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 23 -0.00000045 0.00000000 0.00000000 0.00000000 0.00000000 24 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 25 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 26 0.00000000 -0.78018967 -0.12766218 -0.00253809 -0.00002802 27 0.00000000 -0.17127679 1.04673429 -0.00003759 0.00340520 28 0.00220733 0.00000000 0.00000000 0.00000000 0.00000000 29 0.00000000 1.04673429 0.17127679 0.00340520 0.00003759 30 0.99780335 0.00000000 0.00000000 0.00000000 0.00000000 31 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 32 0.00000000 0.12766218 -0.78018967 0.00002802 -0.00253809 33 -0.00220733 0.00000000 0.00000000 0.00000000 0.00000000 34 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 35 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 36 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 37 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 38 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 39 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 40 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 41 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 42 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 43 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 44 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 45 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 46 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 47 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 48 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 49 -0.00000639 0.00000000 0.00000000 0.00000000 0.00000000 50 -0.00288865 0.00000000 0.00000000 0.00000000 0.00000000 51 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 52 0.00000639 0.00000000 0.00000000 0.00000000 0.00000000 53 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 54 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 55 -0.00000278 0.00000000 0.00000000 0.00000000 0.00000000 56 -0.00125494 0.00000000 0.00000000 0.00000000 0.00000000 57 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 58 0.00000278 0.00000000 0.00000000 0.00000000 0.00000000 59 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 60 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 61 0.00000000 -0.00250047 -0.00040915 0.79051718 0.00872711 62 0.00000000 -0.00054893 0.00335474 0.01170865 -1.06059010 63 -0.00014595 0.00000000 0.00000000 0.00000000 -0.00000000 64 0.00000000 0.00335474 0.00054893 -1.06059010 -0.01170865 65 -0.06597642 0.00000000 0.00000000 0.00000000 0.00000000 66 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 67 0.00000000 0.00040915 -0.00250047 -0.00872711 0.79051718 68 0.00014595 0.00000000 0.00000000 0.00000000 0.00000000 69 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 70 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 46 47 48 49 50 1 0.00000000 0.00000000 0.00000000 0.00000000 0.39241496 2 0.00000000 0.00000000 0.00000000 0.00000000 -0.06400012 3 0.00000000 0.00000000 0.00000000 0.00000000 -0.55834852 4 0.00000000 0.00000000 0.00000000 0.00000000 -0.05981796 5 0.00000000 0.00000000 0.00522658 0.14031765 0.00000000 6 0.00000000 0.00000000 -0.14031765 0.00522658 0.00000000 7 0.00000000 0.00000000 0.00000000 0.00000000 0.01905612 8 0.00000000 0.00000000 -0.01723832 -0.46279568 0.00000000 9 0.00000000 0.00000000 0.46279568 -0.01723832 0.00000000 10 0.00000000 0.00000000 0.00000000 0.00000000 0.10330637 11 0.00000000 0.00000000 0.00331958 0.08912060 0.00000000 12 0.00000000 0.00000000 -0.08912060 0.00331958 0.00000000 13 0.00000000 0.00000000 0.00000000 0.00000000 -0.15025016 14 0.00259714 0.00000299 0.00000000 0.00000000 0.05891038 15 0.00000346 -0.00299892 0.00000000 0.00000000 0.00000000 16 0.00000000 0.00000000 0.00085755 0.02302265 0.00000000 17 -0.00259714 -0.00000299 0.00000000 0.00000000 0.05891038 18 0.00000000 0.00000000 -0.02302265 0.00085755 0.00000000 19 0.00000000 0.00000000 0.00000000 0.00000000 -0.05118121 20 0.00100511 0.00000116 0.00000000 0.00000000 0.11337284 21 0.00000134 -0.00116060 0.00000000 0.00000000 0.00000000 22 0.00000000 0.00000000 0.00038062 0.01021843 0.00000000 23 -0.00100511 -0.00000116 0.00000000 0.00000000 0.11337284 24 0.00000000 0.00000000 -0.01021843 0.00038062 0.00000000 25 0.00000000 0.00000000 0.00000000 0.00000000 0.04218603 26 0.00000000 0.00000000 -0.00172668 -0.04635611 0.00000000 27 0.00000000 0.00000000 0.02073108 -0.00077220 0.00000000 28 0.05725235 0.00006598 0.00000000 0.00000000 0.40188515 29 0.00000000 0.00000000 -0.00077220 -0.02073108 0.00000000 30 0.00007619 -0.06610932 0.00000000 0.00000000 0.00000000 31 0.00000000 0.00000000 0.01982407 0.53221517 0.00000000 32 0.00000000 0.00000000 0.04635611 -0.00172668 0.00000000 33 -0.05725235 -0.00006598 0.00000000 0.00000000 0.40188515 34 0.00000000 0.00000000 -0.53221517 0.01982407 0.00000000 35 0.00000000 0.00000000 0.00000000 0.00000000 -0.63525872 36 0.00000000 0.00000000 0.00000000 0.00000000 -0.27152170 37 0.00000000 0.00000000 0.00000000 0.00000000 0.01927828 38 0.00000000 0.00000000 0.00000000 0.00000000 0.46554004 39 0.00000000 0.00000000 0.00000000 0.00000000 0.03519173 40 0.00000000 0.00000000 -0.00330236 -0.08865822 0.00000000 41 0.00000000 0.00000000 0.08865822 -0.00330236 0.00000000 42 0.00000000 0.00000000 0.00000000 0.00000000 -0.03950402 43 0.00000000 0.00000000 0.01080490 0.29007821 0.00000000 44 0.00000000 0.00000000 -0.29007821 0.01080490 0.00000000 45 0.00000000 0.00000000 0.00000000 0.00000000 0.26454748 46 0.00000000 0.00000000 -0.00209000 -0.05611006 0.00000000 47 0.00000000 0.00000000 0.05611006 -0.00209000 0.00000000 48 0.00000000 0.00000000 0.00000000 0.00000000 -0.16695751 49 0.00005123 0.00000006 0.00000000 0.00000000 -0.04886699 50 0.00000007 -0.00005916 0.00000000 0.00000000 0.00000000 51 0.00000000 0.00000000 0.00045260 0.01215079 0.00000000 52 -0.00005123 -0.00000006 0.00000000 0.00000000 -0.04886699 53 0.00000000 0.00000000 -0.01215079 0.00045260 0.00000000 54 0.00000000 0.00000000 0.00000000 0.00000000 0.04810876 55 -0.00029449 -0.00000034 0.00000000 0.00000000 -0.10463047 56 -0.00000039 0.00034005 0.00000000 0.00000000 0.00000000 57 0.00000000 0.00000000 0.00027748 0.00744937 0.00000000 58 0.00029449 0.00000034 0.00000000 0.00000000 -0.10463047 59 0.00000000 0.00000000 -0.00744937 0.00027748 0.00000000 60 0.00000000 0.00000000 0.00000000 0.00000000 -0.03437652 61 0.00000000 0.00000000 0.01616067 0.43386406 0.00000000 62 -0.00000000 0.00000000 -0.19402991 0.00722727 0.00000000 63 0.86413267 0.00099585 0.00000000 0.00000000 0.48637750 64 0.00000000 0.00000000 0.00722727 0.19402991 0.00000000 65 0.00114990 -0.99781446 0.00000000 0.00000000 0.00000000 66 0.00000000 0.00000000 -0.03941057 -1.05805236 0.00000000 67 0.00000000 0.00000000 -0.43386406 0.01616067 0.00000000 68 -0.86413267 -0.00099585 0.00000000 0.00000000 0.48637750 69 0.00000000 0.00000000 1.05805236 -0.03941057 0.00000000 70 0.00000000 0.00000000 0.00000000 0.00000000 -0.88012646 51 52 53 54 55 1 -0.54498161 0.00000000 0.00000000 0.00000000 0.00000000 2 0.16045275 0.00000000 0.00000000 0.00000000 0.00000000 3 0.44486079 0.00000000 0.00000000 0.00000000 0.00000000 4 0.09950453 0.00000000 0.00000000 0.00000000 0.00000000 5 0.00000000 0.01098955 -0.04332094 0.00000000 0.00000000 6 0.00000000 0.04332094 0.01098955 0.00000000 0.00000000 7 -0.16828832 0.00000000 0.00000000 0.00000000 0.00000000 8 0.00000000 -0.03645982 0.14372503 0.00000000 0.00000000 9 0.00000000 -0.14372503 -0.03645982 0.00000000 0.00000000 10 0.32234457 0.00000000 0.00000000 0.00000000 0.00000000 11 0.00000000 0.00906889 -0.03574968 0.00000000 0.00000000 12 0.00000000 0.03574968 0.00906889 0.00000000 0.00000000 13 -0.04945767 0.00000000 0.00000000 0.00000000 0.00000000 14 -0.45128175 0.00000000 0.00000000 0.03598119 1.03772270 15 0.00000000 0.00000000 0.00000000 1.19825896 -0.04154750 16 0.00000000 0.23674400 -0.93324757 0.00000000 0.00000000 17 -0.45128175 0.00000000 0.00000000 -0.03598119 -1.03772270 18 0.00000000 0.93324757 0.23674400 0.00000000 0.00000000 19 0.87178103 0.00000000 0.00000000 0.00000000 0.00000000 20 0.16202176 0.00000000 0.00000000 -0.01751422 -0.50512245 21 0.00000000 0.00000000 0.00000000 -0.58326517 0.02022368 22 0.00000000 -0.11227573 0.44259221 0.00000000 0.00000000 23 0.16202176 0.00000000 0.00000000 0.01751422 0.50512245 24 0.00000000 -0.44259221 -0.11227573 0.00000000 0.00000000 25 -0.44939006 0.00000000 0.00000000 0.00000000 0.00000000 26 0.00000000 0.01299878 -0.05124133 0.00000000 0.00000000 27 0.00000000 0.02291582 0.00581323 0.00000000 0.00000000 28 -0.06563829 0.00000000 0.00000000 0.00002487 0.00071733 29 0.00000000 0.00581323 -0.02291582 0.00000000 0.00000000 30 0.00000000 0.00000000 0.00000000 0.00082830 -0.00002872 31 0.00000000 0.01006250 -0.03966650 0.00000000 0.00000000 32 0.00000000 0.05124133 0.01299878 0.00000000 0.00000000 33 -0.06563829 0.00000000 0.00000000 -0.00002487 -0.00071733 34 0.00000000 0.03966650 0.01006250 0.00000000 0.00000000 35 -0.07637879 0.00000000 0.00000000 0.00000000 0.00000000 36 -0.52907035 0.00000000 0.00000000 0.00000000 0.00000000 37 0.14200875 0.00000000 0.00000000 0.00000000 0.00000000 38 0.47662269 0.00000000 0.00000000 0.00000000 0.00000000 39 0.09631913 0.00000000 0.00000000 0.00000000 0.00000000 40 0.00000000 0.01811775 -0.07142039 0.00000000 0.00000000 41 0.00000000 0.07142039 0.01811775 0.00000000 0.00000000 42 0.14925449 0.00000000 0.00000000 0.00000000 0.00000000 43 0.00000000 -0.05829636 0.22980493 0.00000000 0.00000000 44 0.00000000 -0.22980493 -0.05829636 0.00000000 0.00000000 45 -0.24746860 0.00000000 0.00000000 0.00000000 0.00000000 46 0.00000000 0.01474195 -0.05811293 0.00000000 0.00000000 47 0.00000000 0.05811293 0.01474195 0.00000000 0.00000000 48 0.01326801 0.00000000 0.00000000 0.00000000 0.00000000 49 -0.41987340 0.00000000 0.00000000 0.00729577 0.21041506 50 0.00000000 0.00000000 0.00000000 0.24296638 -0.00842443 51 0.00000000 -0.18236016 0.71886585 0.00000000 0.00000000 52 -0.41987340 0.00000000 0.00000000 -0.00729577 -0.21041506 53 0.00000000 -0.71886585 -0.18236016 0.00000000 0.00000000 54 0.80493687 0.00000000 0.00000000 0.00000000 0.00000000 55 0.13093522 0.00000000 0.00000000 -0.00344812 -0.09944606 56 0.00000000 0.00000000 0.00000000 -0.11483042 0.00398154 57 0.00000000 0.08367424 -0.32984482 0.00000000 0.00000000 58 0.13093522 0.00000000 0.00000000 0.00344812 0.09944606 59 0.00000000 0.32984482 0.08367424 0.00000000 0.00000000 60 -0.41082094 0.00000000 0.00000000 0.00000000 0.00000000 61 0.00000000 0.02066406 -0.08145796 0.00000000 0.00000000 62 0.00000000 0.03642911 0.00924125 0.00000000 0.00000000 63 0.05928509 0.00000000 0.00000000 -0.00010133 -0.00292240 64 0.00000000 0.00924125 -0.03642911 0.00000000 0.00000000 65 0.00000000 0.00000000 0.00000000 -0.00337449 0.00011700 66 0.00000000 0.01561149 -0.06154068 0.00000000 0.00000000 67 0.00000000 0.08145796 0.02066406 0.00000000 0.00000000 68 0.05928509 0.00000000 0.00000000 0.00010133 0.00292240 69 0.00000000 0.06154068 0.01561149 0.00000000 0.00000000 70 0.03974753 0.00000000 0.00000000 0.00000000 0.00000000 56 57 58 59 60 1 0.00000000 0.00000000 0.00000000 0.00000000 0.24433704 2 0.00000000 0.00000000 0.00000000 0.00000000 -0.23954932 3 0.00000000 0.00000000 0.00000000 0.00000000 0.36455782 4 0.00000000 0.00000000 0.00000000 0.00000000 -0.04314564 5 0.00000000 0.00000000 -0.07855578 -0.07930263 0.00000000 6 0.00000000 0.00000000 0.07930263 -0.07855578 0.00000000 7 0.00000000 0.00000000 0.00000000 0.00000000 0.32854985 8 0.00000000 0.00000000 0.23339427 0.23561321 0.00000000 9 0.00000000 0.00000000 -0.23561321 0.23339427 0.00000000 10 0.00000000 0.00000000 0.00000000 0.00000000 -1.37426247 11 0.00000000 0.00000000 -0.06404713 -0.06465604 0.00000000 12 0.00000000 0.00000000 0.06465604 -0.06404713 0.00000000 13 0.00000000 0.00000000 0.00000000 0.00000000 0.49316643 14 0.00092912 0.21242817 0.00000000 0.00000000 0.42125889 15 0.24529092 -0.00107286 0.00000000 0.00000000 0.00000000 16 0.00000000 0.00000000 0.53361415 0.53868737 0.00000000 17 -0.00092912 -0.21242817 0.00000000 0.00000000 0.42125889 18 0.00000000 0.00000000 -0.53868737 0.53361415 0.00000000 19 0.00000000 0.00000000 0.00000000 0.00000000 -0.89476288 20 -0.00046405 -0.10609783 0.00000000 0.00000000 -0.38750499 21 -0.12251122 0.00053584 0.00000000 0.00000000 0.00000000 22 0.00000000 0.00000000 -0.27948778 -0.28214495 0.00000000 23 0.00046405 0.10609783 0.00000000 0.00000000 -0.38750499 24 0.00000000 0.00000000 0.28214495 -0.27948778 0.00000000 25 0.00000000 0.00000000 0.00000000 0.00000000 0.48678829 26 0.00000000 0.00000000 -0.07911710 -0.07986929 0.00000000 27 0.00000000 0.00000000 0.03571863 -0.03538224 0.00000000 28 -0.00001213 -0.00277232 0.00000000 0.00000000 0.20058180 29 0.00000000 0.00000000 -0.03538224 -0.03571863 0.00000000 30 -0.00320120 0.00001400 0.00000000 0.00000000 0.00000000 31 0.00000000 0.00000000 -0.05811535 -0.05866787 0.00000000 32 0.00000000 0.00000000 0.07986929 -0.07911710 0.00000000 33 0.00001213 0.00277232 0.00000000 0.00000000 0.20058180 34 0.00000000 0.00000000 0.05866787 -0.05811535 0.00000000 35 0.00000000 0.00000000 0.00000000 0.00000000 0.67051167 36 0.00000000 0.00000000 0.00000000 0.00000000 -0.27152715 37 0.00000000 0.00000000 0.00000000 0.00000000 0.24871017 38 0.00000000 0.00000000 0.00000000 0.00000000 -0.34069874 39 0.00000000 0.00000000 0.00000000 0.00000000 0.04753389 40 0.00000000 0.00000000 0.06927931 0.06993797 0.00000000 41 0.00000000 0.00000000 -0.06993797 0.06927931 0.00000000 42 0.00000000 0.00000000 0.00000000 0.00000000 0.33266465 43 0.00000000 0.00000000 -0.20502617 -0.20697541 0.00000000 44 0.00000000 0.00000000 0.20697541 -0.20502617 0.00000000 45 0.00000000 0.00000000 0.00000000 0.00000000 -1.35448230 46 0.00000000 0.00000000 0.05597689 0.05650908 0.00000000 47 0.00000000 0.00000000 -0.05650908 0.05597689 0.00000000 48 0.00000000 0.00000000 0.00000000 0.00000000 0.49229152 49 -0.00454166 -1.03837161 0.00000000 0.00000000 -0.45308851 50 -1.19900826 0.00524426 0.00000000 0.00000000 0.00000000 51 0.00000000 0.00000000 0.68627700 0.69280162 0.00000000 52 0.00454166 1.03837161 0.00000000 0.00000000 -0.45308851 53 0.00000000 0.00000000 -0.69280162 0.68627700 0.00000000 54 0.00000000 0.00000000 0.00000000 0.00000000 0.95381353 55 0.00220538 0.50422183 0.00000000 0.00000000 0.39834467 56 0.58222522 -0.00254655 0.00000000 0.00000000 0.00000000 57 0.00000000 0.00000000 -0.34964198 -0.35296612 0.00000000 58 -0.00220538 -0.50422183 0.00000000 0.00000000 0.39834467 59 0.00000000 0.00000000 0.35296612 -0.34964198 0.00000000 60 0.00000000 0.00000000 0.00000000 0.00000000 -0.51484011 61 0.00000000 0.00000000 0.06986978 0.07053405 0.00000000 62 0.00000000 0.00000000 -0.03154379 0.03124671 0.00000000 63 -0.00000188 -0.00042954 0.00000000 0.00000000 0.19462401 64 0.00000000 0.00000000 0.03124671 0.03154379 0.00000000 65 -0.00049599 0.00000217 0.00000000 0.00000000 0.00000000 66 0.00000000 0.00000000 0.05058744 0.05106839 0.00000000 67 0.00000000 0.00000000 -0.07053405 0.06986978 0.00000000 68 0.00000188 0.00042954 0.00000000 0.00000000 0.19462401 69 0.00000000 0.00000000 -0.05106839 0.05058744 0.00000000 70 0.00000000 0.00000000 0.00000000 0.00000000 0.65367846 61 62 63 64 65 1 9.99964292 10.84477119 0.00000000 0.00000000 -0.12641277 2 -2.28592129 -2.33699736 0.00000000 0.00000000 -0.06950699 3 -6.62295087 -7.32987359 0.00000000 0.00000000 0.20271676 4 -2.65289621 -2.80457202 0.00000000 0.00000000 -0.04043461 5 0.00000000 0.00000000 0.37901251 -1.22697706 0.00000000 6 0.00000000 0.00000000 1.22697706 0.37901251 0.00000000 7 -0.73092865 0.72885259 0.00000000 0.00000000 0.21996256 8 0.00000000 0.00000000 -2.50079306 8.09581645 0.00000000 9 0.00000000 0.00000000 -8.09581645 -2.50079306 0.00000000 10 4.74751400 -4.80580749 0.00000000 0.00000000 -1.57814596 11 0.00000000 0.00000000 0.18445381 -0.59713224 0.00000000 12 0.00000000 0.00000000 0.59713224 0.18445381 0.00000000 13 -0.36828814 0.33915226 0.00000000 0.00000000 0.14626901 14 -0.42043195 -0.45692815 0.00000000 0.00000000 0.05044574 15 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 16 0.00000000 0.00000000 -0.00059875 0.00193835 0.00000000 17 -0.42043195 -0.45692815 0.00000000 0.00000000 0.05044574 18 0.00000000 0.00000000 -0.00193835 -0.00059875 0.00000000 19 -0.30576116 -0.46729350 0.00000000 0.00000000 -0.01526415 20 0.69192105 0.73878420 0.00000000 0.00000000 -0.05223436 21 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 22 0.00000000 0.00000000 -0.00021668 0.00070147 0.00000000 23 0.69192105 0.73878420 0.00000000 0.00000000 -0.05223436 24 0.00000000 0.00000000 -0.00070147 -0.00021668 0.00000000 25 0.62090308 0.72723164 0.00000000 0.00000000 0.03329711 26 0.00000000 0.00000000 1.40186534 -4.53825816 0.00000000 27 0.00000000 0.00000000 2.02957075 0.62693324 0.00000000 28 -1.16414817 1.19986383 0.00000000 0.00000000 0.39089315 29 0.00000000 0.00000000 0.62693324 -2.02957075 0.00000000 30 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 31 0.00000000 0.00000000 0.62678467 -2.02908978 0.00000000 32 0.00000000 0.00000000 4.53825816 1.40186534 0.00000000 33 -1.16414817 1.19986383 0.00000000 0.00000000 0.39089315 34 0.00000000 0.00000000 2.02908978 0.62678467 0.00000000 35 -2.65373821 2.69382838 0.00000000 0.00000000 0.90846708 36 4.20251252 -2.72315096 0.00000000 0.00000000 13.85187293 37 -1.05832867 0.55079304 0.00000000 0.00000000 -3.03254895 38 -2.68547088 1.90358918 0.00000000 0.00000000 -9.27880512 39 -1.15473344 0.64781742 0.00000000 0.00000000 -3.62282270 40 0.00000000 0.00000000 0.13341701 -0.43191085 0.00000000 41 0.00000000 0.00000000 0.43191085 0.13341701 0.00000000 42 0.65465101 -0.42921576 0.00000000 0.00000000 -0.34490307 43 0.00000000 0.00000000 -0.92503794 2.99462497 0.00000000 44 0.00000000 0.00000000 -2.99462497 -0.92503794 0.00000000 45 -4.34979904 3.03273143 0.00000000 0.00000000 2.36682026 46 0.00000000 0.00000000 0.05994674 -0.19406556 0.00000000 47 0.00000000 0.00000000 0.19406556 0.05994674 0.00000000 48 0.30000816 -0.24227448 0.00000000 0.00000000 -0.14886459 49 -0.15837813 0.15618146 0.00000000 0.00000000 -0.58247855 50 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 51 0.00000000 0.00000000 -0.00432416 0.01399860 0.00000000 52 -0.15837813 0.15618146 0.00000000 0.00000000 -0.58247855 53 0.00000000 0.00000000 -0.01399860 -0.00432416 0.00000000 54 -0.07360985 0.04128605 0.00000000 0.00000000 -0.55715970 55 0.27921276 -0.23148851 0.00000000 0.00000000 0.93501519 56 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 57 0.00000000 0.00000000 0.00567338 -0.01836642 0.00000000 58 0.27921276 -0.23148851 0.00000000 0.00000000 0.93501519 59 0.00000000 0.00000000 0.01836642 0.00567338 0.00000000 60 0.25413314 -0.12307065 0.00000000 0.00000000 0.90451562 61 0.00000000 0.00000000 0.52523549 -1.70034467 0.00000000 62 0.00000000 0.00000000 0.76041725 0.23489245 0.00000000 63 1.07314704 -0.74912199 0.00000000 0.00000000 -0.60009350 64 0.00000000 0.00000000 0.23489245 -0.76041725 0.00000000 65 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 66 0.00000000 0.00000000 0.23277755 -0.75357069 0.00000000 67 0.00000000 0.00000000 1.70034467 0.52523549 0.00000000 68 1.07314704 -0.74912199 0.00000000 0.00000000 -0.60009350 69 0.00000000 0.00000000 0.75357069 0.23277755 0.00000000 70 2.43957474 -1.73257477 0.00000000 0.00000000 -1.33732667 66 67 68 69 70 1 0.00000000 0.00000000 0.77012532 54.26461427 -54.70629229 2 0.00000000 0.00000000 -0.09354955 -26.31881184 26.38893091 3 0.00000000 0.00000000 -0.44551106 -31.95320225 32.52116222 4 0.00000000 0.00000000 -0.35177070 -15.32004330 15.23007234 5 0.01938130 -0.55492002 0.00000000 0.00000000 0.00000000 6 -0.55492002 -0.01938130 0.00000000 0.00000000 0.00000000 7 0.00000000 0.00000000 -1.19570212 -0.00788103 0.06872788 8 -0.12192480 3.49091702 0.00000000 0.00000000 0.00000000 9 3.49091702 0.12192480 0.00000000 0.00000000 0.00000000 10 0.00000000 0.00000000 6.93741340 -0.00472463 -0.28747336 11 0.01029117 -0.29465391 0.00000000 0.00000000 0.00000000 12 -0.29465391 -0.01029117 0.00000000 0.00000000 0.00000000 13 0.00000000 0.00000000 -0.67367226 0.01758285 0.10148140 14 0.00000000 0.00000000 -0.05351523 3.51254272 -3.52231514 15 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 16 -0.00071883 0.02058131 0.00000000 0.00000000 0.00000000 17 0.00000000 0.00000000 -0.05351523 3.51254272 -3.52231514 18 0.02058131 0.00071883 0.00000000 0.00000000 0.00000000 19 0.00000000 0.00000000 -0.11456496 3.53306196 -3.53475359 20 0.00000000 0.00000000 0.03139500 3.28248619 -3.37516091 21 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 22 0.00086194 -0.02467897 0.00000000 0.00000000 0.00000000 23 0.00000000 0.00000000 0.03139500 3.28248619 -3.37516091 24 -0.02467897 -0.00086194 0.00000000 0.00000000 0.00000000 25 0.00000000 0.00000000 0.04277947 3.29725117 -3.30026254 26 0.06734264 -1.92813574 0.00000000 0.00000000 0.00000000 27 -0.86228852 -0.03011654 0.00000000 0.00000000 0.00000000 28 0.00000000 0.00000000 -1.70395093 0.01991957 0.06755572 29 0.03011654 -0.86228852 0.00000000 0.00000000 0.00000000 30 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 31 0.03043234 -0.87133017 0.00000000 0.00000000 0.00000000 32 -1.92813574 -0.06734264 0.00000000 0.00000000 0.00000000 33 0.00000000 0.00000000 -1.70395093 0.01991957 0.06755572 34 -0.87133017 -0.03043234 0.00000000 0.00000000 0.00000000 35 0.00000000 0.00000000 -3.75814131 0.01678936 0.14329786 36 0.00000000 0.00000000 -0.90826583 53.41188899 55.54260264 37 0.00000000 0.00000000 0.13470759 -25.90686356 -26.79386531 38 0.00000000 0.00000000 0.52851403 -31.44560524 -33.01290929 39 0.00000000 0.00000000 0.39022148 -15.08276578 -15.46632205 40 -0.04555043 1.30418735 0.00000000 0.00000000 0.00000000 41 1.30418735 0.04555043 0.00000000 0.00000000 0.00000000 42 0.00000000 0.00000000 -1.32453206 0.00671299 0.06881670 43 0.29861507 -8.54986368 0.00000000 0.00000000 0.00000000 44 -8.54986368 -0.29861507 0.00000000 0.00000000 0.00000000 45 0.00000000 0.00000000 7.84122454 0.00966965 -0.28735119 46 -0.02287353 0.65490859 0.00000000 0.00000000 0.00000000 47 0.65490859 0.02287353 0.00000000 0.00000000 0.00000000 48 0.00000000 0.00000000 -0.73981057 -0.01917903 0.10119382 49 0.00000000 0.00000000 0.05960017 3.45743757 3.57622272 50 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 51 -0.00054569 0.01562395 0.00000000 0.00000000 0.00000000 52 0.00000000 0.00000000 0.05960017 3.45743757 3.57622272 53 0.01562395 0.00054569 0.00000000 0.00000000 0.00000000 54 0.00000000 0.00000000 0.10688680 3.47781560 3.58897540 55 0.00000000 0.00000000 -0.04289419 3.22955364 3.42540554 56 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 57 0.00056700 -0.01623422 0.00000000 0.00000000 0.00000000 58 0.00000000 0.00000000 -0.04289419 3.22955364 3.42540554 59 -0.01623422 -0.00056700 0.00000000 0.00000000 0.00000000 60 0.00000000 0.00000000 -0.04524263 3.24542344 3.35074718 61 -0.16681442 4.77618431 0.00000000 0.00000000 0.00000000 62 2.13597456 0.07460168 0.00000000 0.00000000 0.00000000 63 0.00000000 0.00000000 -1.92869929 -0.02109076 0.06724656 64 -0.07460168 2.13597456 0.00000000 0.00000000 0.00000000 65 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 66 -0.07480261 2.14172756 0.00000000 0.00000000 0.00000000 67 4.77618431 0.16681442 0.00000000 0.00000000 0.00000000 68 0.00000000 0.00000000 -1.92869929 -0.02109076 0.06724656 69 2.14172756 0.07480261 0.00000000 0.00000000 0.00000000 70 0.00000000 0.00000000 -4.26846202 -0.01926117 0.14302265 ----------------------------------------- UHF spin-down orbital coefficients ----------------------------------------- 1 2 3 4 5 1 0.05913767 -0.74170525 0.01454619 0.00007417 0.00000000 2 -0.00548134 -0.02079051 0.01003130 -0.36196267 0.00000000 3 -0.01708104 0.77723968 -0.20930411 3.02702865 0.00000000 4 -0.00948024 -0.93999395 -0.29349043 -2.08065055 0.00000000 5 0.00000000 0.00000000 0.00000000 0.00000000 0.10783002 6 0.00000000 0.00000000 0.00000000 0.00000000 -0.37484692 7 0.00057943 -0.00502468 -0.07615205 0.05995101 0.00000000 8 0.00000000 0.00000000 0.00000000 0.00000000 -0.39250433 9 0.00000000 0.00000000 0.00000000 0.00000000 1.36445348 10 0.00052547 0.01989478 0.27909450 -0.21186370 0.00000000 11 0.00000000 0.00000000 0.00000000 0.00000000 0.20251092 12 0.00000000 0.00000000 0.00000000 0.00000000 -0.70398391 13 0.00482338 -0.00904699 -0.15991728 0.11417558 0.00000000 14 0.00028661 -0.00887691 0.00353341 -0.02624327 0.00000000 15 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 16 0.00000000 0.00000000 0.00000000 0.00000000 -0.00060804 17 0.00028661 -0.00887691 0.00353341 -0.02624327 0.00000000 18 0.00000000 0.00000000 0.00000000 0.00000000 0.00211372 19 0.00025681 -0.00825838 0.00203770 -0.02283087 0.00000000 20 0.00019399 -0.07685198 0.02337038 -0.31956853 0.00000000 21 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 22 0.00000000 0.00000000 0.00000000 0.00000000 0.00368117 23 0.00019399 -0.07685198 0.02337038 -0.31956853 0.00000000 24 0.00000000 0.00000000 0.00000000 0.00000000 -0.01279678 25 0.00155208 -0.07922261 0.02383951 -0.33223765 0.00000000 26 0.00000000 0.00000000 0.00000000 0.00000000 0.15775151 27 0.00000000 0.00000000 0.00000000 0.00000000 -0.24524649 28 0.00012006 -0.00330672 -0.05243853 0.03997560 0.00000000 29 0.00000000 0.00000000 0.00000000 0.00000000 0.07054862 30 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 31 0.00000000 0.00000000 0.00000000 0.00000000 0.07062337 32 0.00000000 0.00000000 0.00000000 0.00000000 -0.54838782 33 0.00012006 -0.00330672 -0.05243853 0.03997560 0.00000000 34 0.00000000 0.00000000 0.00000000 0.00000000 -0.24550634 35 0.00029253 -0.00765800 -0.11156621 0.08643950 0.00000000 36 1.00353335 0.17023035 0.10770070 -0.09784429 0.00000000 37 -0.00606363 0.00492305 0.24888954 0.03739067 0.00000000 38 -0.00581103 0.02485222 -2.66732221 -0.23700779 0.00000000 39 -0.00185718 0.18102398 2.18441276 0.61079397 0.00000000 40 0.00000000 0.00000000 0.00000000 0.00000000 0.16858415 41 0.00000000 0.00000000 0.00000000 0.00000000 -0.58604509 42 -0.00062739 -0.00007573 0.04456851 -0.12055292 0.00000000 43 0.00000000 0.00000000 0.00000000 0.00000000 -0.60843677 44 0.00000000 0.00000000 0.00000000 0.00000000 2.11509430 45 0.00220868 0.00852641 -0.15378501 0.43505563 0.00000000 46 0.00000000 0.00000000 0.00000000 0.00000000 0.34263362 47 0.00000000 0.00000000 0.00000000 0.00000000 -1.19108913 48 -0.00270048 0.01532097 0.09980031 -0.27067616 0.00000000 49 0.00076858 -0.00050779 0.02488197 -0.00003273 0.00000000 50 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 51 0.00000000 0.00000000 0.00000000 0.00000000 0.00031325 52 0.00076858 -0.00050779 0.02488197 -0.00003273 0.00000000 53 0.00000000 0.00000000 0.00000000 0.00000000 -0.00108895 54 0.00064706 -0.00026661 0.02214933 0.00157784 0.00000000 55 0.00043511 -0.00089646 0.27544868 0.02148692 0.00000000 56 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 57 0.00000000 0.00000000 0.00000000 0.00000000 -0.00211348 58 0.00043511 -0.00089646 0.27544868 0.02148692 0.00000000 59 0.00000000 0.00000000 0.00000000 0.00000000 0.00734704 60 0.00113552 -0.00270202 0.28444957 0.02377884 0.00000000 61 0.00000000 0.00000000 0.00000000 0.00000000 0.24552107 62 0.00000000 0.00000000 0.00000000 0.00000000 -0.38169638 63 -0.00034762 -0.00131996 0.02968099 -0.08112116 0.00000000 64 0.00000000 0.00000000 0.00000000 0.00000000 0.10980036 65 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 66 0.00000000 0.00000000 0.00000000 0.00000000 0.10984481 67 0.00000000 0.00000000 0.00000000 0.00000000 -0.85349906 68 -0.00034762 -0.00131996 0.02968099 -0.08112116 0.00000000 69 0.00000000 0.00000000 0.00000000 0.00000000 -0.38185091 70 -0.00088142 -0.00154573 0.06375813 -0.17532667 0.00000000 6 7 8 9 10 1 0.00000000 0.13071044 0.00000000 0.00000000 0.24203583 2 0.00000000 -0.11611962 0.00000000 0.00000000 0.04570286 3 0.00000000 0.71439717 0.00000000 0.00000000 -0.58790852 4 0.00000000 -0.32652977 0.00000000 0.00000000 0.77515746 5 -0.37484692 0.00000000 -0.04274740 0.67980806 0.00000000 6 -0.10783002 0.00000000 0.67980806 0.04274740 0.00000000 7 0.00000000 -0.39950907 0.00000000 0.00000000 0.69729941 8 1.36445348 0.00000000 0.15570332 -2.47613569 0.00000000 9 0.39250433 0.00000000 -2.47613569 -0.15570332 0.00000000 10 0.00000000 1.43906260 0.00000000 0.00000000 -2.56051177 11 -0.70398391 0.00000000 -0.08570763 1.36300061 0.00000000 12 -0.20251092 0.00000000 1.36300061 0.08570763 0.00000000 13 0.00000000 -0.76884222 0.00000000 0.00000000 1.64153456 14 0.00000000 -0.00142801 0.00000000 0.00000000 0.00495987 15 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 16 0.00211372 0.00000000 -0.00013647 0.00217032 0.00000000 17 0.00000000 -0.00142801 0.00000000 0.00000000 0.00495987 18 0.00060804 0.00000000 0.00217032 0.00013647 0.00000000 19 0.00000000 -0.01099973 0.00000000 0.00000000 0.00595344 20 0.00000000 -0.09012248 0.00000000 0.00000000 0.06325519 21 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 22 -0.01279678 0.00000000 0.00078088 -0.01241834 0.00000000 23 0.00000000 -0.09012248 0.00000000 0.00000000 0.06325519 24 -0.00368117 0.00000000 -0.01241834 -0.00078088 0.00000000 25 0.00000000 -0.05433895 0.00000000 0.00000000 0.03918215 26 -0.54838782 0.00000000 -0.06223644 0.98974044 0.00000000 27 -0.07054862 0.00000000 0.44262538 0.02783298 0.00000000 28 0.00000000 -0.26450953 0.00000000 0.00000000 0.44544626 29 -0.24524649 0.00000000 -0.02783298 0.44262538 0.00000000 30 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 31 -0.24550634 0.00000000 -0.02781279 0.44230420 0.00000000 32 -0.15775151 0.00000000 0.98974044 0.06223644 0.00000000 33 0.00000000 -0.26450953 0.00000000 0.00000000 0.44544626 34 -0.07062337 0.00000000 0.44230420 0.02781279 0.00000000 35 0.00000000 -0.58045845 0.00000000 0.00000000 1.00689927 36 0.00000000 0.06264226 0.00000000 0.00000000 -0.35724460 37 0.00000000 -0.05260082 0.00000000 0.00000000 -0.09160429 38 0.00000000 0.37355679 0.00000000 0.00000000 0.83991051 39 0.00000000 -0.21491715 0.00000000 0.00000000 -0.80361227 40 -0.58604509 0.00000000 0.02408305 -0.38299057 0.00000000 41 -0.16858415 0.00000000 -0.38299057 -0.02408305 0.00000000 42 0.00000000 0.45974680 0.00000000 0.00000000 0.57965166 43 2.11509430 0.00000000 -0.08689065 1.38181411 0.00000000 44 0.60843677 0.00000000 1.38181411 0.08689065 0.00000000 45 0.00000000 -1.64243265 0.00000000 0.00000000 -2.11748986 46 -1.19108913 0.00000000 0.05270970 -0.83823753 0.00000000 47 -0.34263362 0.00000000 -0.83823753 -0.05270970 0.00000000 48 0.00000000 0.97018601 0.00000000 0.00000000 1.45763071 49 0.00000000 0.00073369 0.00000000 0.00000000 -0.00753399 50 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 51 -0.00108895 0.00000000 -0.00022703 0.00361039 0.00000000 52 0.00000000 0.00073369 0.00000000 0.00000000 -0.00753399 53 -0.00031325 0.00000000 0.00361039 0.00022703 0.00000000 54 0.00000000 -0.00898770 0.00000000 0.00000000 -0.00748580 55 0.00000000 -0.05261455 0.00000000 0.00000000 -0.09677494 56 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 57 0.00734704 0.00000000 0.00136824 -0.02175901 0.00000000 58 0.00000000 -0.05261455 0.00000000 0.00000000 -0.09677494 59 0.00211348 0.00000000 -0.02175901 -0.00136824 0.00000000 60 0.00000000 -0.01323704 0.00000000 0.00000000 -0.06917329 61 -0.85349906 0.00000000 0.03488477 -0.55476926 0.00000000 62 -0.10980036 0.00000000 -0.24810036 -0.01560094 0.00000000 63 0.00000000 0.30161403 0.00000000 0.00000000 0.36706582 64 -0.38169638 0.00000000 0.01560094 -0.24810036 0.00000000 65 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 66 -0.38185091 0.00000000 0.01555629 -0.24739032 0.00000000 67 -0.24552107 0.00000000 -0.55476926 -0.03488477 0.00000000 68 0.00000000 0.30161403 0.00000000 0.00000000 0.36706582 69 -0.10984481 0.00000000 -0.24739032 -0.01555629 0.00000000 70 0.00000000 0.66526377 0.00000000 0.00000000 0.83406759 11 12 13 14 15 1 -0.97020995 -2.75619159 -0.58962534 0.00000000 0.00000000 2 -0.31423115 -1.29788847 -0.07265799 0.00000000 0.00000000 3 1.82786666 6.43522258 1.04976288 0.00000000 0.00000000 4 0.00061093 -0.63927555 -0.12880554 0.00000000 0.00000000 5 0.00000000 0.00000000 0.00000000 -0.24472170 0.62169958 6 0.00000000 0.00000000 0.00000000 -0.62169958 -0.24472170 7 -0.23304031 0.08250540 1.12605967 0.00000000 0.00000000 8 0.00000000 0.00000000 0.00000000 0.92343337 -2.34592254 9 0.00000000 0.00000000 0.00000000 2.34592254 0.92343337 10 0.86723579 -0.31514238 -4.14124915 0.00000000 0.00000000 11 0.00000000 0.00000000 0.00000000 -0.13668090 0.34722895 12 0.00000000 0.00000000 0.00000000 -0.34722895 -0.13668090 13 -0.36190991 0.20881195 0.67161839 0.00000000 0.00000000 14 -0.01789531 -0.05745370 -0.06092713 0.00000000 0.00000000 15 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 16 0.00000000 0.00000000 0.00000000 0.01161612 -0.02951000 17 -0.01789531 -0.05745370 -0.06092713 0.00000000 0.00000000 18 0.00000000 0.00000000 0.00000000 0.02951000 0.01161612 19 -0.02381027 -0.05544962 0.07178637 0.00000000 0.00000000 20 -0.28767155 -0.95231166 0.10803743 0.00000000 0.00000000 21 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 22 0.00000000 0.00000000 0.00000000 -0.07815390 0.19854491 23 -0.28767155 -0.95231166 0.10803743 0.00000000 0.00000000 24 0.00000000 0.00000000 0.00000000 -0.19854491 -0.07815390 25 -0.22892596 -0.98177957 -0.70230757 0.00000000 0.00000000 26 0.00000000 0.00000000 0.00000000 -0.36279020 0.92164494 27 0.00000000 0.00000000 0.00000000 -0.41217215 -0.16224471 28 -0.14829309 0.04865983 0.77020308 0.00000000 0.00000000 29 0.00000000 0.00000000 0.00000000 -0.16224471 0.41217215 30 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 31 0.00000000 0.00000000 0.00000000 -0.16330811 0.41487365 32 0.00000000 0.00000000 0.00000000 -0.92164494 -0.36279020 33 -0.14829309 0.04865983 0.77020308 0.00000000 0.00000000 34 0.00000000 0.00000000 0.00000000 -0.41487365 -0.16330811 35 -0.34009480 0.11769700 1.66564793 0.00000000 0.00000000 36 -2.67915742 0.91507585 -0.45073836 0.00000000 0.00000000 37 -1.24216086 0.55191299 -0.02154479 0.00000000 0.00000000 38 6.28750080 -2.52677404 0.73855997 0.00000000 0.00000000 39 -0.61541688 0.42001114 0.02631959 0.00000000 0.00000000 40 0.00000000 0.00000000 0.00000000 -0.74161197 1.88401708 41 0.00000000 0.00000000 0.00000000 -1.88401708 -0.74161197 42 0.05544618 0.24607065 -1.59507371 0.00000000 0.00000000 43 0.00000000 0.00000000 0.00000000 2.81668982 -7.15561762 44 0.00000000 0.00000000 0.00000000 7.15561762 2.81668982 45 -0.20462027 -0.92332992 5.95943281 0.00000000 0.00000000 46 0.00000000 0.00000000 0.00000000 -0.52658864 1.33776426 47 0.00000000 0.00000000 0.00000000 -1.33776426 -0.52658864 48 -0.00137800 0.39050398 -1.14330297 0.00000000 0.00000000 49 -0.05440566 0.02161505 -0.05965768 0.00000000 0.00000000 50 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 51 0.00000000 0.00000000 0.00000000 -0.00631341 0.01603881 52 -0.05440566 0.02161505 -0.05965768 0.00000000 0.00000000 53 0.00000000 0.00000000 0.00000000 -0.01603881 -0.00631341 54 -0.05550839 0.01244936 0.07786269 0.00000000 0.00000000 55 -0.89919430 0.33973853 0.17288656 0.00000000 0.00000000 56 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 57 0.00000000 0.00000000 0.00000000 0.04286452 -0.10889454 58 -0.89919430 0.33973853 0.17288656 0.00000000 0.00000000 59 0.00000000 0.00000000 0.00000000 0.10889454 0.04286452 60 -0.89094115 0.42957553 -0.71203681 0.00000000 0.00000000 61 0.00000000 0.00000000 0.00000000 -1.09600960 2.78434124 62 0.00000000 0.00000000 0.00000000 -1.24519526 -0.49015039 63 0.03800459 0.15526013 -1.07367267 0.00000000 0.00000000 64 0.00000000 0.00000000 0.00000000 -0.49015039 1.24519526 65 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 66 0.00000000 0.00000000 0.00000000 -0.49095066 1.24722828 67 0.00000000 0.00000000 0.00000000 -2.78434124 -1.09600960 68 0.03800459 0.15526013 -1.07367267 0.00000000 0.00000000 69 0.00000000 0.00000000 0.00000000 -1.24722828 -0.49095066 70 0.08358039 0.35825143 -2.35468382 0.00000000 0.00000000 16 17 18 19 20 1 0.00000000 0.00000000 0.11554413 0.00000000 0.00000000 2 0.00000000 0.00000000 0.02853239 0.00000000 0.00000000 3 0.00000000 0.00000000 -0.16225419 0.00000000 0.00000000 4 0.00000000 0.00000000 0.38956135 0.00000000 0.00000000 5 1.22252944 -1.58105456 0.00000000 0.23300042 -0.75002097 6 -1.58105456 -1.22252944 0.00000000 0.75002097 0.23300042 7 0.00000000 0.00000000 1.54164786 0.00000000 0.00000000 8 -4.62083908 5.97596953 0.00000000 -0.88128131 2.83681659 9 5.97596953 4.62083908 0.00000000 -2.83681659 -0.88128131 10 0.00000000 0.00000000 -5.87772069 0.00000000 0.00000000 11 0.86595768 -1.11991278 0.00000000 0.17908669 -0.57647438 12 -1.11991278 -0.86595768 0.00000000 0.57647438 0.17908669 13 0.00000000 0.00000000 1.47485296 0.00000000 0.00000000 14 0.00000000 0.00000000 -0.01701608 0.00000000 0.00000000 15 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 16 -0.00165155 0.00213589 0.00000000 0.02963887 -0.09540659 17 0.00000000 0.00000000 -0.01701608 0.00000000 0.00000000 18 0.00213589 0.00165155 0.00000000 0.09540659 0.02963887 19 0.00000000 0.00000000 0.03418268 0.00000000 0.00000000 20 0.00000000 0.00000000 0.12894800 0.00000000 0.00000000 21 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 22 0.00646941 -0.00836666 0.00000000 -0.20114359 0.64747483 23 0.00000000 0.00000000 0.12894800 0.00000000 0.00000000 24 -0.00836666 -0.00646941 0.00000000 -0.64747483 -0.20114359 25 0.00000000 0.00000000 -0.28442927 0.00000000 0.00000000 26 1.80286398 -2.33158091 0.00000000 0.34463883 -1.10938147 27 -1.04271468 -0.80626528 0.00000000 0.49613048 0.15412717 28 0.00000000 0.00000000 0.99944216 0.00000000 0.00000000 29 0.80626528 -1.04271468 0.00000000 0.15412717 -0.49613048 30 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 31 0.80757198 -1.04440459 0.00000000 0.15162791 -0.48808543 32 -2.33158091 -1.80286398 0.00000000 1.10938147 0.34463883 33 0.00000000 0.00000000 0.99944216 0.00000000 0.00000000 34 -1.04440459 -0.80757198 0.00000000 0.48808543 0.15162791 35 0.00000000 0.00000000 2.25942029 0.00000000 0.00000000 36 0.00000000 0.00000000 -0.30565112 0.00000000 0.00000000 37 0.00000000 0.00000000 -0.05453616 0.00000000 0.00000000 38 0.00000000 0.00000000 0.60363418 0.00000000 0.00000000 39 0.00000000 0.00000000 -0.44270562 0.00000000 0.00000000 40 -0.51906115 0.67128362 0.00000000 0.09970217 -0.32093813 41 0.67128362 0.51906115 0.00000000 0.32093813 0.09970217 42 0.00000000 0.00000000 1.52246050 0.00000000 0.00000000 43 1.97383688 -2.55269419 0.00000000 -0.37854342 1.21851925 44 -2.55269419 -1.97383688 0.00000000 -1.21851925 -0.37854342 45 0.00000000 0.00000000 -5.88889317 0.00000000 0.00000000 46 -0.42741468 0.55276045 0.00000000 0.07838375 -0.25231480 47 0.55276045 0.42741468 0.00000000 0.25231480 0.07838375 48 0.00000000 0.00000000 1.50804497 0.00000000 0.00000000 49 0.00000000 0.00000000 -0.01603488 0.00000000 0.00000000 50 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 51 0.02860297 -0.03699122 0.00000000 -0.03153576 0.10151261 52 0.00000000 0.00000000 -0.01603488 0.00000000 0.00000000 53 -0.03699122 -0.02860297 0.00000000 -0.10151261 -0.03153576 54 0.00000000 0.00000000 0.01151192 0.00000000 0.00000000 55 0.00000000 0.00000000 -0.01731758 0.00000000 0.00000000 56 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 57 -0.20248694 0.26186927 0.00000000 0.22185679 -0.71414997 58 0.00000000 0.00000000 -0.01731758 0.00000000 0.00000000 59 0.26186927 0.20248694 0.00000000 0.71414997 0.22185679 60 0.00000000 0.00000000 -0.14313197 0.00000000 0.00000000 61 -0.76427291 0.98840741 0.00000000 0.14838387 -0.47764297 62 0.44202923 0.34179323 0.00000000 0.21360843 0.06635928 63 0.00000000 0.00000000 0.97987999 0.00000000 0.00000000 64 -0.34179323 0.44202923 0.00000000 0.06635928 -0.21360843 65 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 66 -0.34035771 0.44017272 0.00000000 0.06437544 -0.20722252 67 0.98840741 0.76427291 0.00000000 0.47764297 0.14838387 68 0.00000000 0.00000000 0.97987999 0.00000000 0.00000000 69 0.44017272 0.34035771 0.00000000 0.20722252 0.06437544 70 0.00000000 0.00000000 2.22966660 0.00000000 0.00000000 21 22 23 24 25 1 0.20208366 0.00000000 0.00000000 0.00000000 0.00000000 2 0.08492988 0.00000000 0.00000000 0.00000000 0.00000000 3 -0.71414792 0.00000000 0.00000000 0.00000000 0.00000000 4 0.17177659 0.00000000 0.00000000 0.00000000 0.00000000 5 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 6 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 7 1.46079522 0.00000000 0.00000000 0.00000000 0.00000000 8 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 9 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 10 -5.57261911 0.00000000 0.00000000 0.00000000 0.00000000 11 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 12 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 13 1.04368657 0.00000000 0.00000000 0.00000000 0.00000000 14 0.03525363 0.03674306 -0.00008338 -0.12474774 -0.00003313 15 0.00000000 -0.00009627 -0.04242723 -0.00003826 0.14404628 16 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 17 0.03525363 -0.03674306 0.00008338 0.12474774 0.00003313 18 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 19 -0.04531390 0.00000000 0.00000000 0.00000000 0.00000000 20 -0.09168370 -0.25701575 0.00058321 0.89960924 0.00023895 21 0.00000000 0.00067343 0.29677622 0.00027591 -1.03877927 22 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 23 -0.09168370 0.25701575 -0.00058321 -0.89960924 -0.00023895 24 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 25 0.51566381 0.00000000 0.00000000 0.00000000 0.00000000 26 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 27 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 28 0.95998325 -0.00117962 0.00000268 -0.00046159 -0.00000012 29 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 30 0.00000000 0.00000309 0.00136211 -0.00000014 0.00053300 31 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 32 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 33 0.95998325 0.00117962 -0.00000268 0.00046159 0.00000012 34 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 35 2.14432024 0.00000000 0.00000000 0.00000000 0.00000000 36 0.11102818 0.00000000 0.00000000 0.00000000 0.00000000 37 0.04878863 0.00000000 0.00000000 0.00000000 0.00000000 38 -0.53001777 0.00000000 0.00000000 0.00000000 0.00000000 39 0.03682221 0.00000000 0.00000000 0.00000000 0.00000000 40 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 41 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 42 -0.89199183 0.00000000 0.00000000 0.00000000 0.00000000 43 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 44 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 45 3.40934679 0.00000000 0.00000000 0.00000000 0.00000000 46 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 47 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 48 -0.56192353 0.00000000 0.00000000 0.00000000 0.00000000 49 0.03733167 0.12253472 -0.00027805 0.03421878 0.00000909 50 0.00000000 -0.00032106 -0.14149091 0.00001049 -0.03951244 51 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 52 0.03733167 -0.12253472 0.00027805 -0.03421878 -0.00000909 53 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 54 -0.05235288 0.00000000 0.00000000 0.00000000 0.00000000 55 -0.14218270 -0.89762017 0.00203684 -0.25896312 -0.00006878 56 0.00000000 0.00235194 1.03648249 -0.00007942 0.29902486 57 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 58 -0.14218270 0.89762017 -0.00203684 0.25896312 0.00006878 59 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 60 0.58419849 0.00000000 0.00000000 0.00000000 0.00000000 61 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 62 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 63 -0.59409570 0.00022402 -0.00000051 -0.00129395 -0.00000034 64 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 65 0.00000000 -0.00000059 -0.00025868 -0.00000040 0.00149412 66 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 67 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 68 -0.59409570 -0.00022402 0.00000051 0.00129395 0.00000034 69 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 70 -1.31103832 0.00000000 0.00000000 0.00000000 0.00000000 26 27 28 29 30 1 0.00000000 0.00000000 -0.10513864 0.25987816 -1.79378190 2 0.00000000 0.00000000 -0.34769367 -0.21401435 0.15997134 3 0.00000000 0.00000000 0.46008284 -0.18107962 6.25624223 4 0.00000000 0.00000000 0.28465934 -0.13527438 -0.53184879 5 -0.37880395 0.25800018 0.00000000 0.00000000 0.00000000 6 0.25800018 0.37880395 0.00000000 0.00000000 0.00000000 7 0.00000000 0.00000000 0.88837685 -0.08020710 0.16310647 8 1.44661621 -0.98527810 0.00000000 0.00000000 0.00000000 9 -0.98527810 -1.44661621 0.00000000 0.00000000 0.00000000 10 0.00000000 0.00000000 -3.36423716 0.26832916 -0.60479844 11 -0.35451000 0.24145377 0.00000000 0.00000000 0.00000000 12 0.24145377 0.35451000 0.00000000 0.00000000 0.00000000 13 0.00000000 0.00000000 1.24504330 0.13371575 0.21238779 14 0.00000000 0.00000000 0.05255688 0.02785024 -0.11748650 15 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 16 0.08734551 -0.05949029 0.00000000 0.00000000 0.00000000 17 0.00000000 0.00000000 0.05255688 0.02785024 -0.11748650 18 -0.05949029 -0.08734551 0.00000000 0.00000000 0.00000000 19 0.00000000 0.00000000 -0.08205197 -0.00676965 -0.13169742 20 0.00000000 0.00000000 -0.41856750 0.01666861 -1.99010923 21 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 22 -0.67599326 0.46041331 0.00000000 0.00000000 0.00000000 23 0.00000000 0.00000000 -0.41856750 0.01666861 -1.99010923 24 0.46041331 0.67599326 0.00000000 0.00000000 0.00000000 25 0.00000000 0.00000000 0.87793356 0.27938233 -1.77229292 26 -0.55766274 0.37981939 0.00000000 0.00000000 0.00000000 27 0.16986040 0.24939436 0.00000000 0.00000000 0.00000000 28 0.00000000 0.00000000 0.59490522 -0.06411297 0.11467101 29 -0.24939436 0.16986040 0.00000000 0.00000000 0.00000000 30 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 31 -0.23972539 0.16327494 0.00000000 0.00000000 0.00000000 32 0.37981939 0.55766274 0.00000000 0.00000000 0.00000000 33 0.00000000 0.00000000 0.59490522 -0.06411297 0.11467101 34 0.16327494 0.23972539 0.00000000 0.00000000 0.00000000 35 0.00000000 0.00000000 1.26081879 -0.12805418 0.22837063 36 0.00000000 0.00000000 0.05855040 1.81368262 -0.02446975 37 0.00000000 0.00000000 0.34415150 -0.10833297 0.18446135 38 0.00000000 0.00000000 -0.29650440 -6.34554768 -0.63483977 39 0.00000000 0.00000000 -0.29418363 0.53024232 0.20867432 40 0.35585080 -0.24236698 0.00000000 0.00000000 0.00000000 41 -0.24236698 -0.35585080 0.00000000 0.00000000 0.00000000 42 0.00000000 0.00000000 0.84669458 0.19651750 -0.07041180 43 -1.36774858 0.93156202 0.00000000 0.00000000 0.00000000 44 0.93156202 1.36774858 0.00000000 0.00000000 0.00000000 45 0.00000000 0.00000000 -3.20814819 -0.72679601 0.23365915 46 0.35257766 -0.24013767 0.00000000 0.00000000 0.00000000 47 -0.24013767 -0.35257766 0.00000000 0.00000000 0.00000000 48 0.00000000 0.00000000 1.22180314 0.22793574 0.13456556 49 0.00000000 0.00000000 -0.05234418 0.12247497 -0.01007944 50 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 51 0.07108460 -0.04841512 0.00000000 0.00000000 0.00000000 52 0.00000000 0.00000000 -0.05234418 0.12247497 -0.01007944 53 -0.04841512 -0.07108460 0.00000000 0.00000000 0.00000000 54 0.00000000 0.00000000 0.07073600 0.13440469 0.02121508 55 0.00000000 0.00000000 0.34783989 2.00512160 0.23427637 56 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 57 -0.57745758 0.39330149 0.00000000 0.00000000 0.00000000 58 0.00000000 0.00000000 0.34783989 2.00512160 0.23427637 59 0.39330149 0.57745758 0.00000000 0.00000000 0.00000000 60 0.00000000 0.00000000 -0.89501370 1.79073912 -0.01628135 61 0.52472459 -0.35738549 0.00000000 0.00000000 0.00000000 62 -0.15982765 -0.23466397 0.00000000 0.00000000 0.00000000 63 0.00000000 0.00000000 0.56861595 0.13866673 -0.05677052 64 0.23466397 -0.15982765 0.00000000 0.00000000 0.00000000 65 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 66 0.22346383 -0.15219933 0.00000000 0.00000000 0.00000000 67 -0.35738549 -0.52472459 0.00000000 0.00000000 0.00000000 68 0.00000000 0.00000000 0.56861595 0.13866673 -0.05677052 69 -0.15219933 -0.22346383 0.00000000 0.00000000 0.00000000 70 0.00000000 0.00000000 1.19987307 0.27762942 -0.11415621 31 32 33 34 35 1 -0.29093807 0.00000000 0.00000000 0.00000000 0.00000000 2 0.10393883 0.00000000 0.00000000 0.00000000 0.00000000 3 0.16527192 0.00000000 0.00000000 0.00000000 0.00000000 4 0.05777783 0.00000000 0.00000000 0.00000000 0.00000000 5 0.00000000 0.47953668 -1.65909435 0.75975798 3.66530604 6 0.00000000 1.65909435 0.47953668 -3.66530604 0.75975798 7 2.81825975 0.00000000 0.00000000 0.00000000 0.00000000 8 0.00000000 -1.48769912 5.14712083 -2.37043149 -11.43569019 9 0.00000000 -5.14712083 -1.48769912 11.43569019 -2.37043149 10 -8.86606658 0.00000000 0.00000000 0.00000000 0.00000000 11 0.00000000 0.13433743 -0.46477880 0.24856688 1.19916306 12 0.00000000 0.46477880 0.13433743 -1.19916306 0.24856688 13 0.87621657 0.00000000 0.00000000 0.00000000 0.00000000 14 -0.02094649 0.00000000 0.00000000 0.00000000 0.00000000 15 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 16 0.00000000 0.00024238 -0.00083858 0.00027395 0.00132160 17 -0.02094649 0.00000000 0.00000000 0.00000000 0.00000000 18 0.00000000 0.00083858 0.00024238 -0.00132160 0.00027395 19 0.01464547 0.00000000 0.00000000 0.00000000 0.00000000 20 -0.04950883 0.00000000 0.00000000 0.00000000 0.00000000 21 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 22 0.00000000 -0.00940758 0.03254822 0.00546856 0.02638202 23 -0.04950883 0.00000000 0.00000000 0.00000000 0.00000000 24 0.00000000 -0.03254822 -0.00940758 -0.02638202 0.00546856 25 0.00442933 0.00000000 0.00000000 0.00000000 0.00000000 26 0.00000000 0.72082294 -2.49389324 1.13875280 5.49369358 27 0.00000000 1.11530296 0.32236182 -2.45685446 0.50926573 28 1.94029131 0.00000000 0.00000000 0.00000000 0.00000000 29 0.00000000 0.32236182 -1.11530296 0.50926573 2.45685446 30 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 31 0.00000000 0.32506231 -1.12464608 0.50688676 2.44537756 32 0.00000000 2.49389324 0.72082294 -5.49369358 1.13875280 33 1.94029131 0.00000000 0.00000000 0.00000000 0.00000000 34 0.00000000 1.12464608 0.32506231 -2.44537756 0.50688676 35 4.19288977 0.00000000 0.00000000 0.00000000 0.00000000 36 -0.26340051 0.00000000 0.00000000 0.00000000 0.00000000 37 0.09640119 0.00000000 0.00000000 0.00000000 0.00000000 38 0.13285229 0.00000000 0.00000000 0.00000000 0.00000000 39 0.09160049 0.00000000 0.00000000 0.00000000 0.00000000 40 0.00000000 1.02842543 -3.55813207 -0.37833766 -1.82521719 41 0.00000000 3.55813207 1.02842543 1.82521719 -0.37833766 42 -3.19327802 0.00000000 0.00000000 0.00000000 0.00000000 43 0.00000000 -3.20139706 11.07614922 1.18365813 5.71033071 44 0.00000000 -11.07614922 -3.20139706 -5.71033071 1.18365813 45 10.04569741 0.00000000 0.00000000 0.00000000 0.00000000 46 0.00000000 0.32071637 -1.10961005 -0.13439813 -0.64837791 47 0.00000000 1.10961005 0.32071637 0.64837791 -0.13439813 48 -1.04506991 0.00000000 0.00000000 0.00000000 0.00000000 49 -0.01966414 0.00000000 0.00000000 0.00000000 0.00000000 50 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 51 0.00000000 -0.00037940 0.00131265 0.00019895 0.00095980 52 -0.01966414 0.00000000 0.00000000 0.00000000 0.00000000 53 0.00000000 -0.00131265 -0.00037940 -0.00095980 0.00019895 54 0.01489008 0.00000000 0.00000000 0.00000000 0.00000000 55 -0.04907363 0.00000000 0.00000000 0.00000000 0.00000000 56 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 57 0.00000000 0.00249459 -0.00863074 0.00831751 0.04012624 58 -0.04907363 0.00000000 0.00000000 0.00000000 0.00000000 59 0.00000000 0.00863074 0.00249459 -0.04012624 0.00831751 60 0.01540854 0.00000000 0.00000000 0.00000000 0.00000000 61 0.00000000 1.53895930 -5.32447008 -0.56473775 -2.72446852 62 0.00000000 2.38117541 0.68824352 1.21841936 -0.25255840 63 -2.18108726 0.00000000 0.00000000 0.00000000 0.00000000 64 0.00000000 0.68824352 -2.38117541 -0.25255840 -1.21841936 65 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 66 0.00000000 0.68843631 -2.38184241 -0.24928738 -1.20263898 67 0.00000000 5.32447008 1.53895930 2.72446852 -0.56473775 68 -2.18108726 0.00000000 0.00000000 0.00000000 0.00000000 69 0.00000000 2.38184241 0.68843631 1.20263898 -0.24928738 70 -4.73806070 0.00000000 0.00000000 0.00000000 0.00000000 36 37 38 39 40 1 0.22703707 0.51508731 0.00000000 0.00000000 0.00000000 2 -0.07509723 -0.17918060 0.00000000 0.00000000 0.00000000 3 -0.25105936 -0.43072774 0.00000000 0.00000000 0.00000000 4 0.26703398 -0.10113351 0.00000000 0.00000000 0.00000000 5 0.00000000 0.00000000 -0.01452066 -0.11504369 0.00000000 6 0.00000000 0.00000000 0.11504369 -0.01452066 0.00000000 7 3.37223937 0.27104814 0.00000000 0.00000000 0.00000000 8 0.00000000 0.00000000 0.04826459 0.38238876 0.00000000 9 0.00000000 0.00000000 -0.38238876 0.04826459 0.00000000 10 -10.59692653 -0.75409367 0.00000000 0.00000000 0.00000000 11 0.00000000 0.00000000 -0.00910365 -0.07212602 0.00000000 12 0.00000000 0.00000000 0.07212602 -0.00910365 0.00000000 13 1.43426689 0.05878841 0.00000000 0.00000000 0.00000000 14 0.01242431 0.03928651 0.00000000 0.00000000 -0.00250165 15 0.00000000 0.00000000 0.00000000 0.00000000 -0.00000460 16 0.00000000 0.00000000 -0.00240000 -0.01901463 0.00000000 17 0.01242431 0.03928651 0.00000000 0.00000000 0.00250165 18 0.00000000 0.00000000 0.01901463 -0.00240000 0.00000000 19 -0.00360820 -0.00456235 0.00000000 0.00000000 0.00000000 20 -0.00621959 0.05299308 0.00000000 0.00000000 -0.00108681 21 0.00000000 0.00000000 0.00000000 0.00000000 -0.00000200 22 0.00000000 0.00000000 -0.00104497 -0.00827902 0.00000000 23 -0.00621959 0.05299308 0.00000000 0.00000000 0.00108681 24 0.00000000 0.00000000 0.00827902 -0.00104497 0.00000000 25 0.11013811 0.02582841 0.00000000 0.00000000 0.00000000 26 0.00000000 0.00000000 -0.05196403 -0.41169850 0.00000000 27 0.00000000 0.00000000 0.18411717 -0.02323902 0.00000000 28 2.20493456 -0.25517278 0.00000000 0.00000000 0.05713737 29 0.00000000 0.00000000 -0.02323902 -0.18411717 0.00000000 30 0.00000000 0.00000000 0.00000000 0.00000000 0.00010507 31 0.00000000 0.00000000 0.04590710 0.36371094 0.00000000 32 0.00000000 0.00000000 0.41169850 -0.05196403 0.00000000 33 2.20493456 -0.25517278 0.00000000 0.00000000 -0.05713737 34 0.00000000 0.00000000 -0.36371094 0.04590710 0.00000000 35 5.01784101 0.95550650 0.00000000 0.00000000 0.00000000 36 -0.26327474 0.43287242 0.00000000 0.00000000 0.00000000 37 0.08848625 -0.17047106 0.00000000 0.00000000 0.00000000 38 0.27207094 -0.29986594 0.00000000 0.00000000 0.00000000 39 -0.25755400 -0.09083083 0.00000000 0.00000000 0.00000000 40 0.00000000 0.00000000 -0.00300930 -0.02384198 0.00000000 41 0.00000000 0.00000000 0.02384198 -0.00300930 0.00000000 42 3.05531918 -0.26066765 0.00000000 0.00000000 0.00000000 43 0.00000000 0.00000000 0.01039285 0.08234003 0.00000000 44 0.00000000 0.00000000 -0.08234003 0.01039285 0.00000000 45 -9.59284320 0.75791446 0.00000000 0.00000000 0.00000000 46 0.00000000 0.00000000 -0.00185806 -0.01472095 0.00000000 47 0.00000000 0.00000000 0.01472095 -0.00185806 0.00000000 48 1.33692989 -0.09529194 0.00000000 0.00000000 0.00000000 49 -0.01510265 0.02651925 0.00000000 0.00000000 -0.00037635 50 0.00000000 0.00000000 0.00000000 0.00000000 -0.00000069 51 0.00000000 0.00000000 0.00078372 0.00620922 0.00000000 52 -0.01510265 0.02651925 0.00000000 0.00000000 0.00037635 53 0.00000000 0.00000000 -0.00620922 0.00078372 0.00000000 54 0.00564233 0.00620764 0.00000000 0.00000000 0.00000000 55 0.00084988 0.02426272 0.00000000 0.00000000 0.00017476 56 0.00000000 0.00000000 0.00000000 0.00000000 0.00000032 57 0.00000000 0.00000000 0.00007855 0.00062235 0.00000000 58 0.00084988 0.02426272 0.00000000 0.00000000 -0.00017476 59 0.00000000 0.00000000 -0.00062235 0.00007855 0.00000000 60 -0.11035332 0.01790862 0.00000000 0.00000000 0.00000000 61 0.00000000 0.00000000 -0.07468722 -0.59172891 0.00000000 62 0.00000000 0.00000000 0.26462921 -0.03340114 0.00000000 63 1.97961538 0.37508605 0.00000000 0.00000000 -0.86412478 64 0.00000000 0.00000000 -0.03340114 -0.26462921 0.00000000 65 0.00000000 0.00000000 0.00000000 0.00000000 -0.00158906 66 0.00000000 0.00000000 0.12343790 0.97796887 0.00000000 67 0.00000000 0.00000000 0.59172891 -0.07468722 0.00000000 68 1.97961538 0.37508605 0.00000000 0.00000000 0.86412478 69 0.00000000 0.00000000 -0.97796887 0.12343790 0.00000000 70 4.53690321 -1.12269662 0.00000000 0.00000000 0.00000000 41 42 43 44 45 1 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 2 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 3 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 4 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 5 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 6 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 7 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 8 0.00000000 -0.00000000 0.00000000 0.00000000 0.00000000 9 0.00000000 0.00000000 -0.00000000 0.00000000 0.00000000 10 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 11 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 12 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 13 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 14 -0.00000398 0.00000000 0.00000000 0.00000000 0.00000000 15 0.00288865 0.00000000 0.00000000 0.00000000 0.00000000 16 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 17 0.00000398 0.00000000 0.00000000 0.00000000 0.00000000 18 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 19 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 20 -0.00000173 0.00000000 0.00000000 0.00000000 0.00000000 21 0.00125494 0.00000000 0.00000000 0.00000000 0.00000000 22 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 23 0.00000173 0.00000000 0.00000000 0.00000000 0.00000000 24 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 25 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 26 0.00000000 0.00245405 -0.00063041 -0.78567277 0.08781729 27 0.00000000 -0.00084579 -0.00329245 -0.11781926 -1.05409063 28 0.00009099 0.00000000 0.00000000 0.00000000 0.00000000 29 0.00000000 -0.00329245 0.00084579 1.05409063 -0.11781926 30 -0.06597656 0.00000000 0.00000000 0.00000000 0.00000000 31 0.00000000 -0.00000000 0.00000000 0.00000000 0.00000000 32 0.00000000 0.00063041 0.00245405 0.08781729 0.78567277 33 -0.00009099 0.00000000 0.00000000 0.00000000 0.00000000 34 0.00000000 0.00000000 -0.00000000 0.00000000 0.00000000 35 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 36 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 37 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 38 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 39 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 40 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 41 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 42 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 43 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 44 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 45 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 46 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 47 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 48 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 49 -0.00000060 0.00000000 0.00000000 0.00000000 0.00000000 50 0.00043457 0.00000000 0.00000000 0.00000000 0.00000000 51 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 52 0.00000060 0.00000000 0.00000000 0.00000000 0.00000000 53 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 54 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 55 0.00000028 0.00000000 0.00000000 0.00000000 0.00000000 56 -0.00020180 0.00000000 0.00000000 0.00000000 0.00000000 57 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 58 -0.00000028 0.00000000 0.00000000 0.00000000 0.00000000 59 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 60 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 61 0.00000000 0.76570430 -0.19669895 0.00252253 -0.00028195 62 0.00000000 -0.26389934 -1.02730012 0.00037828 0.00338433 63 -0.00137617 0.00000000 0.00000000 0.00000000 0.00000000 64 0.00000000 -1.02730012 0.26389934 -0.00338433 0.00037828 65 0.99780534 0.00000000 0.00000000 0.00000000 0.00000000 66 0.00000000 -0.00000000 0.00000000 0.00000000 0.00000000 67 0.00000000 0.19669895 0.76570430 -0.00028195 -0.00252253 68 0.00137617 0.00000000 0.00000000 0.00000000 0.00000000 69 0.00000000 0.00000000 -0.00000000 0.00000000 0.00000000 70 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 46 47 48 49 50 1 0.00000000 0.00000000 0.00000000 0.00000000 -0.27152170 2 0.00000000 0.00000000 0.00000000 0.00000000 0.01927828 3 0.00000000 0.00000000 0.00000000 0.00000000 0.46554004 4 0.00000000 0.00000000 0.00000000 0.00000000 0.03519173 5 0.00000000 0.00000000 0.06406576 -0.06137397 0.00000000 6 0.00000000 0.00000000 0.06137397 0.06406576 0.00000000 7 0.00000000 0.00000000 0.00000000 0.00000000 0.03950402 8 0.00000000 0.00000000 -0.20961486 0.20080767 0.00000000 9 0.00000000 0.00000000 -0.20080767 -0.20961486 0.00000000 10 0.00000000 0.00000000 0.00000000 0.00000000 -0.26454748 11 0.00000000 0.00000000 0.04054597 -0.03884239 0.00000000 12 0.00000000 0.00000000 0.03884239 0.04054597 0.00000000 13 0.00000000 0.00000000 0.00000000 0.00000000 0.16695751 14 -0.00005123 -0.00000004 0.00000000 0.00000000 -0.04886699 15 0.00000004 -0.00005916 0.00000000 0.00000000 0.00000000 16 0.00000000 0.00000000 0.00878034 -0.00841143 0.00000000 17 0.00005123 0.00000004 0.00000000 0.00000000 -0.04886699 18 0.00000000 0.00000000 0.00841143 0.00878034 0.00000000 19 0.00000000 0.00000000 0.00000000 0.00000000 0.04810876 20 0.00029449 0.00000021 0.00000000 0.00000000 -0.10463047 21 -0.00000024 0.00034005 0.00000000 0.00000000 0.00000000 22 0.00000000 0.00000000 0.00538303 -0.00515686 0.00000000 23 -0.00029449 -0.00000021 0.00000000 0.00000000 -0.10463047 24 0.00000000 0.00000000 0.00515686 0.00538303 0.00000000 25 0.00000000 0.00000000 0.00000000 0.00000000 -0.03437652 26 0.00000000 0.00000000 -0.31351668 0.30034394 0.00000000 27 -0.00000000 0.00000000 -0.13431789 -0.14020892 0.00000000 28 0.86413303 0.00060540 0.00000000 0.00000000 -0.48637750 29 0.00000000 0.00000000 -0.14020892 0.13431789 0.00000000 30 -0.00069906 0.99781487 0.00000000 0.00000000 0.00000000 31 0.00000000 0.00000000 0.76456451 -0.73244051 0.00000000 32 0.00000000 0.00000000 -0.30034394 -0.31351668 0.00000000 33 -0.86413303 -0.00060540 0.00000000 0.00000000 -0.48637750 34 0.00000000 0.00000000 0.73244051 0.76456451 0.00000000 35 0.00000000 0.00000000 0.00000000 0.00000000 0.88012646 36 0.00000000 0.00000000 0.00000000 0.00000000 0.39241496 37 0.00000000 0.00000000 0.00000000 0.00000000 -0.06400012 38 0.00000000 0.00000000 0.00000000 0.00000000 -0.55834852 39 0.00000000 0.00000000 0.00000000 0.00000000 -0.05981796 40 0.00000000 0.00000000 -0.10139564 0.09713539 0.00000000 41 0.00000000 0.00000000 -0.09713539 -0.10139564 0.00000000 42 0.00000000 0.00000000 0.00000000 0.00000000 -0.01905612 43 0.00000000 0.00000000 0.33442310 -0.32037196 0.00000000 44 0.00000000 0.00000000 0.32037196 0.33442310 0.00000000 45 0.00000000 0.00000000 0.00000000 0.00000000 -0.10330637 46 0.00000000 0.00000000 -0.06439988 0.06169405 0.00000000 47 0.00000000 0.00000000 -0.06169405 -0.06439988 0.00000000 48 0.00000000 0.00000000 0.00000000 0.00000000 0.15025016 49 -0.00259714 -0.00000182 0.00000000 0.00000000 0.05891038 50 0.00000210 -0.00299892 0.00000000 0.00000000 0.00000000 51 0.00000000 0.00000000 0.01663651 -0.01593751 0.00000000 52 0.00259714 0.00000182 0.00000000 0.00000000 0.05891038 53 0.00000000 0.00000000 0.01593751 0.01663651 0.00000000 54 0.00000000 0.00000000 0.00000000 0.00000000 -0.05118121 55 -0.00100511 -0.00000070 0.00000000 0.00000000 0.11337284 56 0.00000081 -0.00116060 0.00000000 0.00000000 0.00000000 57 0.00000000 0.00000000 0.00738399 -0.00707374 0.00000000 58 0.00100511 0.00000070 0.00000000 0.00000000 0.11337284 59 0.00000000 0.00000000 0.00707374 0.00738399 0.00000000 60 0.00000000 0.00000000 0.00000000 0.00000000 0.04218603 61 0.00000000 0.00000000 0.03349762 -0.03209018 0.00000000 62 0.00000000 0.00000000 0.01435116 0.01498059 0.00000000 63 0.05725238 0.00004011 0.00000000 0.00000000 -0.40188515 64 0.00000000 0.00000000 0.01498059 -0.01435116 0.00000000 65 -0.00004632 0.06610935 0.00000000 0.00000000 0.00000000 66 0.00000000 0.00000000 -0.38458667 0.36842784 0.00000000 67 0.00000000 0.00000000 0.03209018 0.03349762 0.00000000 68 -0.05725238 -0.00004011 0.00000000 0.00000000 -0.40188515 69 0.00000000 0.00000000 -0.36842784 -0.38458667 0.00000000 70 0.00000000 0.00000000 0.00000000 0.00000000 0.63525872 51 52 53 54 55 1 -0.52907035 0.00000000 0.00000000 0.00000000 0.00000000 2 0.14200875 0.00000000 0.00000000 0.00000000 0.00000000 3 0.47662269 0.00000000 0.00000000 0.00000000 0.00000000 4 0.09631913 0.00000000 0.00000000 0.00000000 0.00000000 5 0.00000000 0.01543582 -0.07204762 0.00000000 0.00000000 6 0.00000000 0.07204762 0.01543582 0.00000000 0.00000000 7 -0.14925449 0.00000000 0.00000000 0.00000000 0.00000000 8 0.00000000 -0.04966689 0.23182314 0.00000000 0.00000000 9 0.00000000 -0.23182314 -0.04966689 0.00000000 0.00000000 10 0.24746860 0.00000000 0.00000000 0.00000000 0.00000000 11 0.00000000 0.01255973 -0.05862330 0.00000000 0.00000000 12 0.00000000 0.05862330 0.01255973 0.00000000 0.00000000 13 -0.01326801 0.00000000 0.00000000 0.00000000 0.00000000 14 -0.41987340 0.00000000 0.00000000 0.00594665 0.21045751 15 0.00000000 0.00000000 0.00000000 -0.24301540 0.00686660 16 0.00000000 0.15536582 -0.72517915 0.00000000 0.00000000 17 -0.41987340 0.00000000 0.00000000 -0.00594665 -0.21045751 18 0.00000000 0.72517915 0.15536582 0.00000000 0.00000000 19 0.80493687 0.00000000 0.00000000 0.00000000 0.00000000 20 0.13093522 0.00000000 0.00000000 -0.00281050 -0.09946612 21 0.00000000 0.00000000 0.00000000 0.11485358 -0.00324528 22 0.00000000 -0.07128814 0.33274162 0.00000000 0.00000000 23 0.13093522 0.00000000 0.00000000 0.00281050 0.09946612 24 0.00000000 -0.33274162 -0.07128814 0.00000000 0.00000000 25 -0.41082094 0.00000000 0.00000000 0.00000000 0.00000000 26 0.00000000 0.01760521 -0.08217335 0.00000000 0.00000000 27 0.00000000 0.03674904 0.00787329 0.00000000 0.00000000 28 -0.05928509 0.00000000 0.00000000 0.00008259 0.00292299 29 0.00000000 0.00787329 -0.03674904 0.00000000 0.00000000 30 0.00000000 0.00000000 0.00000000 -0.00337517 0.00009537 31 0.00000000 0.01330056 -0.06208115 0.00000000 0.00000000 32 0.00000000 0.08217335 0.01760521 0.00000000 0.00000000 33 -0.05928509 0.00000000 0.00000000 -0.00008259 -0.00292299 34 0.00000000 0.06208115 0.01330056 0.00000000 0.00000000 35 -0.03974753 0.00000000 0.00000000 0.00000000 0.00000000 36 -0.54498161 0.00000000 0.00000000 0.00000000 0.00000000 37 0.16045275 0.00000000 0.00000000 0.00000000 0.00000000 38 0.44486079 0.00000000 0.00000000 0.00000000 0.00000000 39 0.09950453 0.00000000 0.00000000 0.00000000 0.00000000 40 0.00000000 0.00936279 -0.04370140 0.00000000 0.00000000 41 0.00000000 0.04370140 0.00936279 0.00000000 0.00000000 42 0.16828832 0.00000000 0.00000000 0.00000000 0.00000000 43 0.00000000 -0.03106276 0.14498727 0.00000000 0.00000000 44 0.00000000 -0.14498727 -0.03106276 0.00000000 0.00000000 45 -0.32234457 0.00000000 0.00000000 0.00000000 0.00000000 46 0.00000000 0.00772645 -0.03606364 0.00000000 0.00000000 47 0.00000000 0.03606364 0.00772645 0.00000000 0.00000000 48 0.04945767 0.00000000 0.00000000 0.00000000 0.00000000 49 -0.45128175 0.00000000 0.00000000 0.02932761 1.03793205 50 0.00000000 0.00000000 0.00000000 -1.19850069 0.03386461 51 0.00000000 -0.20169935 0.94144364 0.00000000 0.00000000 52 -0.45128175 0.00000000 0.00000000 -0.02932761 -1.03793205 53 0.00000000 -0.94144364 -0.20169935 0.00000000 0.00000000 54 0.87178103 0.00000000 0.00000000 0.00000000 0.00000000 55 0.16202176 0.00000000 0.00000000 -0.01427552 -0.50522435 56 0.00000000 0.00000000 0.00000000 0.58338283 -0.01648395 57 0.00000000 0.09565582 -0.44647919 0.00000000 0.00000000 58 0.16202176 0.00000000 0.00000000 0.01427552 0.50522435 59 0.00000000 0.44647919 0.09565582 0.00000000 0.00000000 60 -0.44939006 0.00000000 0.00000000 0.00000000 0.00000000 61 0.00000000 0.01107460 -0.05169135 0.00000000 0.00000000 62 0.00000000 0.02311707 0.00495271 0.00000000 0.00000000 63 0.06563829 0.00000000 0.00000000 -0.00002027 -0.00071747 64 0.00000000 0.00495271 -0.02311707 0.00000000 0.00000000 65 0.00000000 0.00000000 0.00000000 0.00082846 -0.00002341 66 0.00000000 0.00857297 -0.04001487 0.00000000 0.00000000 67 0.00000000 0.05169135 0.01107460 0.00000000 0.00000000 68 0.06563829 0.00000000 0.00000000 0.00002027 0.00071747 69 0.00000000 0.04001487 0.00857297 0.00000000 0.00000000 70 0.07637879 0.00000000 0.00000000 0.00000000 0.00000000 56 57 58 59 60 1 0.00000000 0.00000000 0.00000000 0.00000000 0.27152715 2 0.00000000 0.00000000 0.00000000 0.00000000 -0.24871017 3 0.00000000 0.00000000 0.00000000 0.00000000 0.34069874 4 0.00000000 0.00000000 0.00000000 0.00000000 -0.04753389 5 0.00000000 0.00000000 -0.06898769 -0.07022564 0.00000000 6 0.00000000 0.00000000 0.07022564 -0.06898769 0.00000000 7 0.00000000 0.00000000 0.00000000 0.00000000 0.33266465 8 0.00000000 0.00000000 0.20416315 0.20782675 0.00000000 9 0.00000000 0.00000000 -0.20782675 0.20416315 0.00000000 10 0.00000000 0.00000000 0.00000000 0.00000000 -1.35448230 11 0.00000000 0.00000000 -0.05574126 -0.05674151 0.00000000 12 0.00000000 0.00000000 0.05674151 -0.05574126 0.00000000 13 0.00000000 0.00000000 0.00000000 0.00000000 0.49229152 14 0.06210808 1.03652246 0.00000000 0.00000000 0.45308851 15 1.19687305 -0.07171623 0.00000000 0.00000000 0.00000000 16 0.00000000 0.00000000 0.68338824 0.69565129 0.00000000 17 -0.06210808 -1.03652246 0.00000000 0.00000000 0.45308851 18 0.00000000 0.00000000 -0.69565129 0.68338824 0.00000000 19 0.00000000 0.00000000 0.00000000 0.00000000 -0.95381353 20 -0.03015900 -0.50332391 0.00000000 0.00000000 -0.39834467 21 -0.58118838 0.03482461 0.00000000 0.00000000 0.00000000 22 0.00000000 0.00000000 -0.34817022 -0.35441796 0.00000000 23 0.03015900 0.50332391 0.00000000 0.00000000 -0.39834467 24 0.00000000 0.00000000 0.35441796 -0.34817022 0.00000000 25 0.00000000 0.00000000 0.00000000 0.00000000 0.51484011 26 0.00000000 0.00000000 -0.06957567 -0.07082417 0.00000000 27 0.00000000 0.00000000 0.03167353 -0.03111519 0.00000000 28 -0.00002569 -0.00042878 0.00000000 0.00000000 0.19462401 29 0.00000000 0.00000000 -0.03111519 -0.03167353 0.00000000 30 -0.00049511 0.00002967 0.00000000 0.00000000 0.00000000 31 0.00000000 0.00000000 -0.05037450 -0.05127845 0.00000000 32 0.00000000 0.00000000 0.07082417 -0.06957567 0.00000000 33 0.00002569 0.00042878 0.00000000 0.00000000 0.19462401 34 0.00000000 0.00000000 0.05127845 -0.05037450 0.00000000 35 0.00000000 0.00000000 0.00000000 0.00000000 0.65367846 36 0.00000000 0.00000000 0.00000000 0.00000000 -0.24433704 37 0.00000000 0.00000000 0.00000000 0.00000000 0.23954932 38 0.00000000 0.00000000 0.00000000 0.00000000 -0.36455782 39 0.00000000 0.00000000 0.00000000 0.00000000 0.04314564 40 0.00000000 0.00000000 0.07822511 0.07962882 0.00000000 41 0.00000000 0.00000000 -0.07962882 0.07822511 0.00000000 42 0.00000000 0.00000000 0.00000000 0.00000000 0.32854985 43 0.00000000 0.00000000 -0.23241184 -0.23658235 0.00000000 44 0.00000000 0.00000000 0.23658235 -0.23241184 0.00000000 45 0.00000000 0.00000000 0.00000000 0.00000000 -1.37426247 46 0.00000000 0.00000000 0.06377753 0.06492199 0.00000000 47 0.00000000 0.00000000 -0.06492199 0.06377753 0.00000000 48 0.00000000 0.00000000 0.00000000 0.00000000 0.49316643 49 -0.01270596 -0.21204987 0.00000000 0.00000000 -0.42125889 50 -0.24485410 0.01467158 0.00000000 0.00000000 0.00000000 51 0.00000000 0.00000000 0.53136800 0.54090312 0.00000000 52 0.01270596 0.21204987 0.00000000 0.00000000 -0.42125889 53 0.00000000 0.00000000 -0.54090312 0.53136800 0.00000000 54 0.00000000 0.00000000 0.00000000 0.00000000 0.89476288 55 0.00634603 0.10590889 0.00000000 0.00000000 0.38750499 56 0.12229305 -0.00732776 0.00000000 0.00000000 0.00000000 57 0.00000000 0.00000000 -0.27831133 -0.28330549 0.00000000 58 -0.00634603 -0.10590889 0.00000000 0.00000000 0.38750499 59 0.00000000 0.00000000 0.28330549 -0.27831133 0.00000000 60 0.00000000 0.00000000 0.00000000 0.00000000 -0.48678829 61 0.00000000 0.00000000 0.07878408 0.08019781 0.00000000 62 0.00000000 0.00000000 -0.03586555 0.03523331 0.00000000 63 -0.00016582 -0.00276738 0.00000000 0.00000000 0.20058180 64 0.00000000 0.00000000 0.03523331 0.03586555 0.00000000 65 -0.00319550 0.00019147 0.00000000 0.00000000 0.00000000 66 0.00000000 0.00000000 0.05787072 0.05890918 0.00000000 67 0.00000000 0.00000000 -0.08019781 0.07878408 0.00000000 68 0.00016582 0.00276738 0.00000000 0.00000000 0.20058180 69 0.00000000 0.00000000 -0.05890918 0.05787072 0.00000000 70 0.00000000 0.00000000 0.00000000 0.00000000 0.67051167 61 62 63 64 65 1 4.20251253 -2.72315096 0.00000000 0.00000000 13.85187293 2 -1.05832867 0.55079304 0.00000000 0.00000000 -3.03254895 3 -2.68547088 1.90358918 0.00000000 0.00000000 -9.27880512 4 -1.15473344 0.64781742 0.00000000 0.00000000 -3.62282270 5 0.00000000 0.00000000 0.11141249 -0.43810311 0.00000000 6 0.00000000 0.00000000 0.43810311 0.11141249 0.00000000 7 -0.65465101 0.42921576 0.00000000 0.00000000 0.34490307 8 0.00000000 0.00000000 -0.77247107 3.03755861 0.00000000 9 0.00000000 0.00000000 -3.03755861 -0.77247107 0.00000000 10 4.34979904 -3.03273143 0.00000000 0.00000000 -2.36682026 11 0.00000000 0.00000000 0.05005970 -0.19684786 0.00000000 12 0.00000000 0.00000000 0.19684786 0.05005970 0.00000000 13 -0.30000816 0.24227448 0.00000000 0.00000000 0.14886459 14 -0.15837813 0.15618146 0.00000000 0.00000000 -0.58247855 15 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 16 0.00000000 0.00000000 0.00361097 -0.01419930 0.00000000 17 -0.15837813 0.15618146 0.00000000 0.00000000 -0.58247855 18 0.00000000 0.00000000 0.01419930 0.00361097 0.00000000 19 -0.07360985 0.04128605 0.00000000 0.00000000 -0.55715970 20 0.27921276 -0.23148851 0.00000000 0.00000000 0.93501519 21 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 22 0.00000000 0.00000000 -0.00473767 0.01862974 0.00000000 23 0.27921276 -0.23148851 0.00000000 0.00000000 0.93501519 24 0.00000000 0.00000000 -0.01862974 -0.00473767 0.00000000 25 0.25413314 -0.12307065 0.00000000 0.00000000 0.90451562 26 0.00000000 0.00000000 0.43860820 -1.72472235 0.00000000 27 0.00000000 0.00000000 0.77131928 0.19615155 0.00000000 28 -1.07314704 0.74912199 0.00000000 0.00000000 0.60009350 29 0.00000000 0.00000000 0.19615155 -0.77131928 0.00000000 30 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 31 0.00000000 0.00000000 0.19438546 -0.76437456 0.00000000 32 0.00000000 0.00000000 1.72472235 0.43860820 0.00000000 33 -1.07314704 0.74912199 0.00000000 0.00000000 0.60009350 34 0.00000000 0.00000000 0.76437456 0.19438546 0.00000000 35 -2.43957474 1.73257477 0.00000000 0.00000000 1.33732667 36 9.99964292 10.84477119 0.00000000 0.00000000 -0.12641277 37 -2.28592129 -2.33699736 0.00000000 0.00000000 -0.06950699 38 -6.62295087 -7.32987359 0.00000000 0.00000000 0.20271676 39 -2.65289621 -2.80457202 0.00000000 0.00000000 -0.04043461 40 0.00000000 0.00000000 0.31650183 -1.24456811 0.00000000 41 0.00000000 0.00000000 1.24456811 0.31650183 0.00000000 42 0.73092865 -0.72885259 0.00000000 0.00000000 -0.21996256 43 0.00000000 0.00000000 -2.08833630 8.21188538 0.00000000 44 0.00000000 0.00000000 -8.21188538 -2.08833630 0.00000000 45 -4.74751400 4.80580749 0.00000000 0.00000000 1.57814596 46 0.00000000 0.00000000 0.15403177 -0.60569326 0.00000000 47 0.00000000 0.00000000 0.60569326 0.15403177 0.00000000 48 0.36828814 -0.33915226 0.00000000 0.00000000 -0.14626901 49 -0.42043195 -0.45692815 0.00000000 0.00000000 0.05044574 50 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 51 0.00000000 0.00000000 0.00050000 -0.00196613 0.00000000 52 -0.42043195 -0.45692815 0.00000000 0.00000000 0.05044574 53 0.00000000 0.00000000 0.00196613 0.00050000 0.00000000 54 -0.30576116 -0.46729350 0.00000000 0.00000000 -0.01526415 55 0.69192105 0.73878420 0.00000000 0.00000000 -0.05223436 56 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 57 0.00000000 0.00000000 0.00018095 -0.00071153 0.00000000 58 0.69192105 0.73878420 0.00000000 0.00000000 -0.05223436 59 0.00000000 0.00000000 0.00071153 0.00018095 0.00000000 60 0.62090308 0.72723164 0.00000000 0.00000000 0.03329711 61 0.00000000 0.00000000 1.17065515 -4.60332272 0.00000000 62 0.00000000 0.00000000 2.05866850 0.52353290 0.00000000 63 1.16414817 -1.19986383 0.00000000 0.00000000 -0.39089315 64 0.00000000 0.00000000 0.52353290 -2.05866850 0.00000000 65 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 66 0.00000000 0.00000000 0.52340883 -2.05818064 0.00000000 67 0.00000000 0.00000000 4.60332272 1.17065515 0.00000000 68 1.16414817 -1.19986383 0.00000000 0.00000000 -0.39089315 69 0.00000000 0.00000000 2.05818064 0.52340883 0.00000000 70 2.65373821 -2.69382838 0.00000000 0.00000000 -0.90846708 66 67 68 69 70 1 0.00000000 0.00000000 -0.90826583 53.41188900 -55.54260263 2 0.00000000 0.00000000 0.13470759 -25.90686357 26.79386531 3 0.00000000 0.00000000 0.52851403 -31.44560524 33.01290929 4 0.00000000 0.00000000 0.39022148 -15.08276578 15.46632205 5 0.10071845 -1.30109003 0.00000000 0.00000000 0.00000000 6 -1.30109003 -0.10071845 0.00000000 0.00000000 0.00000000 7 0.00000000 0.00000000 1.32453206 -0.00671299 0.06881670 8 -0.66028018 8.52955861 0.00000000 0.00000000 0.00000000 9 8.52955861 0.66028018 0.00000000 0.00000000 0.00000000 10 0.00000000 0.00000000 -7.84122454 -0.00966965 -0.28735119 11 0.05057661 -0.65335325 0.00000000 0.00000000 0.00000000 12 -0.65335325 -0.05057661 0.00000000 0.00000000 0.00000000 13 0.00000000 0.00000000 0.73981057 0.01917903 0.10119382 14 0.00000000 0.00000000 0.05960017 3.45743757 -3.57622272 15 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 16 -0.00120659 0.01558685 0.00000000 0.00000000 0.00000000 17 0.00000000 0.00000000 0.05960017 3.45743757 -3.57622272 18 0.01558685 0.00120659 0.00000000 0.00000000 0.00000000 19 0.00000000 0.00000000 0.10688680 3.47781560 -3.58897539 20 0.00000000 0.00000000 -0.04289419 3.22955364 -3.42540554 21 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 22 0.00125372 -0.01619567 0.00000000 0.00000000 0.00000000 23 0.00000000 0.00000000 -0.04289419 3.22955364 -3.42540554 24 -0.01619567 -0.00125372 0.00000000 0.00000000 0.00000000 25 0.00000000 0.00000000 -0.04524263 3.24542345 -3.35074718 26 0.36885031 -4.76484135 0.00000000 0.00000000 0.00000000 27 -2.13090183 -0.16495487 0.00000000 0.00000000 0.00000000 28 0.00000000 0.00000000 1.92869929 0.02109076 0.06724656 29 0.16495487 -2.13090183 0.00000000 0.00000000 0.00000000 30 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 31 0.16539916 -2.13664117 0.00000000 0.00000000 0.00000000 32 -4.76484135 -0.36885031 0.00000000 0.00000000 0.00000000 33 0.00000000 0.00000000 1.92869929 0.02109076 0.06724656 34 -2.13664117 -0.16539916 0.00000000 0.00000000 0.00000000 35 0.00000000 0.00000000 4.26846202 0.01926117 0.14302265 36 0.00000000 0.00000000 0.77012532 54.26461426 54.70629230 37 0.00000000 0.00000000 -0.09354955 -26.31881184 -26.38893092 38 0.00000000 0.00000000 -0.44551106 -31.95320224 -32.52116222 39 0.00000000 0.00000000 -0.35177070 -15.32004329 -15.23007234 40 -0.04285480 0.55360214 0.00000000 0.00000000 0.00000000 41 0.55360214 0.04285480 0.00000000 0.00000000 0.00000000 42 0.00000000 0.00000000 1.19570212 0.00788103 0.06872788 43 0.26959299 -3.48262644 0.00000000 0.00000000 0.00000000 44 -3.48262644 -0.26959299 0.00000000 0.00000000 0.00000000 45 0.00000000 0.00000000 -6.93741340 0.00472463 -0.28747336 46 -0.02275523 0.29395414 0.00000000 0.00000000 0.00000000 47 0.29395414 0.02275523 0.00000000 0.00000000 0.00000000 48 0.00000000 0.00000000 0.67367226 -0.01758285 0.10148140 49 0.00000000 0.00000000 -0.05351523 3.51254272 3.52231514 50 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 51 -0.00158943 0.02053243 0.00000000 0.00000000 0.00000000 52 0.00000000 0.00000000 -0.05351523 3.51254272 3.52231514 53 0.02053243 0.00158943 0.00000000 0.00000000 0.00000000 54 0.00000000 0.00000000 -0.11456496 3.53306196 3.53475359 55 0.00000000 0.00000000 0.03139500 3.28248619 3.37516091 56 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 57 0.00190588 -0.02462036 0.00000000 0.00000000 0.00000000 58 0.00000000 0.00000000 0.03139500 3.28248619 3.37516091 59 -0.02462036 -0.00190588 0.00000000 0.00000000 0.00000000 60 0.00000000 0.00000000 0.04277947 3.29725117 3.30026254 61 -0.14890411 1.92355661 0.00000000 0.00000000 0.00000000 62 0.86024067 0.06659194 0.00000000 0.00000000 0.00000000 63 0.00000000 0.00000000 1.70395093 -0.01991957 0.06755572 64 -0.06659194 0.86024067 0.00000000 0.00000000 0.00000000 65 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 66 -0.06729020 0.86926085 0.00000000 0.00000000 0.00000000 67 1.92355661 0.14890411 0.00000000 0.00000000 0.00000000 68 0.00000000 0.00000000 1.70395093 -0.01991957 0.06755572 69 0.86926085 0.06729020 0.00000000 0.00000000 0.00000000 70 0.00000000 0.00000000 3.75814131 -0.01678937 0.14329786 --------------------------------------- UHF spin-up orbital energies --------------------------------------- 1 1 -0.49930622 2 0.05511022 3 0.25170146 4 0.35084713 5 0.44802679 6 0.44802679 7 0.48056438 8 0.58589027 9 0.58589027 10 0.80901798 11 1.12875385 12 1.23980807 13 1.81471222 14 1.81534902 15 1.81534902 16 1.89201335 17 1.89201335 18 1.95877137 19 2.00816324 20 2.00816324 21 2.06328483 22 2.06400389 23 2.06400389 24 2.11573301 25 2.11573301 26 2.24888584 27 2.24888584 28 2.72593718 29 3.08553149 30 3.15779149 31 4.34983511 32 4.42783896 33 4.42783896 34 4.50329441 35 4.50329441 36 4.75424266 37 6.04542013 38 6.05178294 39 6.05178294 40 6.05397034 41 6.05397034 42 6.05413306 43 6.05413306 44 6.08526461 45 6.08526461 46 6.08528063 47 6.08528063 48 6.09742068 49 6.09742068 50 6.16610601 51 8.05408498 52 8.07297959 53 8.07297959 54 8.11763955 55 8.11763955 56 8.16474526 57 8.16474526 58 8.24453061 59 8.24453061 60 8.62205777 61 9.62899557 62 9.67302840 63 9.69693826 64 9.69693826 65 9.72245814 66 9.75419593 67 9.75419593 68 9.93028605 69 22.22084171 70 22.97096437 --------------------------------------- UHF spin-down orbital energies --------------------------------------- 1 1 -0.49930622 2 0.05511022 3 0.25170146 4 0.35084713 5 0.44802679 6 0.44802679 7 0.48056438 8 0.58589027 9 0.58589027 10 0.80901798 11 1.12875385 12 1.23980807 13 1.81471222 14 1.81534902 15 1.81534902 16 1.89201335 17 1.89201335 18 1.95877137 19 2.00816324 20 2.00816324 21 2.06328483 22 2.06400389 23 2.06400389 24 2.11573301 25 2.11573301 26 2.24888584 27 2.24888584 28 2.72593718 29 3.08553149 30 3.15779149 31 4.34983511 32 4.42783896 33 4.42783896 34 4.50329441 35 4.50329441 36 4.75424266 37 6.04542013 38 6.05178294 39 6.05178294 40 6.05397034 41 6.05397034 42 6.05413306 43 6.05413306 44 6.08526461 45 6.08526461 46 6.08528063 47 6.08528063 48 6.09742068 49 6.09742068 50 6.16610601 51 8.05408498 52 8.07297959 53 8.07297959 54 8.11763955 55 8.11763955 56 8.16474526 57 8.16474526 58 8.24453061 59 8.24453061 60 8.62205777 61 9.62899557 62 9.67302840 63 9.69693826 64 9.69693826 65 9.72245814 66 9.75419593 67 9.75419593 68 9.93028605 69 22.22084171 70 22.97096437 Total CPU time for UHF = 2.017 seconds AO to MO transformation... Please be patient Total CPU time for AO to MO transformation = 15.870 seconds ************************************************ | One-shot G0W0 calculation | | *** Unrestricted version *** | ************************************************ Tamm-Dancoff approximation activated! ------------------------------------------------------------- RPA@UHF calculation: spin-conserved manifold ------------------------------------------------------------- | State | Excitation energy (au) | Excitation energy (eV) | ------------------------------------------------------------- | 1 | 0.560440 | 15.250343 | | 2 | 0.571067 | 15.539528 | | 3 | 0.786007 | 21.388347 | | 4 | 0.798252 | 21.721544 | | 5 | 0.853085 | 23.213616 | | 6 | 0.859767 | 23.395457 | | 7 | 0.974511 | 26.517792 | | 8 | 0.974511 | 26.517792 | | 9 | 1.003809 | 27.315033 | | 10 | 1.003809 | 27.315033 | | 11 | 1.008840 | 27.451925 | | 12 | 1.037287 | 28.226015 | | 13 | 1.105359 | 30.078348 | | 14 | 1.105359 | 30.078348 | | 15 | 1.112813 | 30.281186 | | 16 | 1.112813 | 30.281186 | | 17 | 1.331946 | 36.244092 | | 18 | 1.338498 | 36.422384 | | 19 | 1.683818 | 45.819014 | | 20 | 1.696809 | 46.172529 | ------------------------------------------------------------- *** Quasiparticle energies obtained by linearization *** -------------------------------------------------------------------------------------------------------------------------------- Unrestricted one-shot G0W0 calculation (eV) -------------------------------------------------------------------------------------------------------------------------------- | | e_HF | Sig_c | Z | e_QP | | #| up dw | up dw | up dw | up dw | -------------------------------------------------------------------------------------------------------------------------------- | 1| -13.586814 -13.586814| 0.110613 0.110613| 0.957315 0.957315| -13.480923 -13.480923| | 2| 1.499625 1.499625| -0.868443 -0.868443| 0.977296 0.977296| 0.650899 0.650899| | 3| 6.849146 6.849146| -0.176099 -0.176099| 0.992865 0.992865| 6.674303 6.674303| | 4| 9.547037 9.547037| -0.972891 -0.972891| 0.967402 0.967402| 8.605860 8.605860| | 5| 12.191430 12.191430| -0.427331 -0.427331| 0.985076 0.985076| 11.770477 11.770477| | 6| 12.191430 12.191430| -0.427331 -0.427331| 0.985076 0.985076| 11.770477 11.770477| | 7| 13.076823 13.076823| -0.735735 -0.735735| 0.957939 0.957939| 12.372034 12.372034| | 8| 15.942886 15.942886| -0.637065 -0.637065| 0.973287 0.973287| 15.322839 15.322839| | 9| 15.942886 15.942886| -0.637065 -0.637065| 0.973287 0.973287| 15.322839 15.322839| | 10| 22.014501 22.014501| -0.841854 -0.841854| 0.879870 0.879870| 21.273779 21.273779| | 11| 30.714957 30.714957| -1.303555 -1.303555| 0.255642 0.255642| 30.381713 30.381713| | 12| 33.736896 33.736896| -0.903487 -0.903487| 0.520946 0.520946| 33.266228 33.266228| | 13| 49.380835 49.380835| 0.140654 0.140654| 0.099607 0.099607| 49.394845 49.394845| | 14| 49.398163 49.398163| -0.745998 -0.745998| 0.674378 0.674378| 48.895078 48.895078| | 15| 49.398163 49.398163| -0.745998 -0.745998| 0.674378 0.674378| 48.895078 48.895078| | 16| 51.484306 51.484306| -1.108310 -1.108310| 0.752798 0.752798| 50.649972 50.649972| | 17| 51.484306 51.484306| -1.108310 -1.108310| 0.752798 0.752798| 50.649972 50.649972| | 18| 53.300884 53.300884| -1.076076 -1.076076| 0.812736 0.812736| 52.426318 52.426318| | 19| 54.644905 54.644905| -0.298311 -0.298311| 0.823235 0.823235| 54.399325 54.399325| | 20| 54.644905 54.644905| -0.298311 -0.298311| 0.823235 0.823235| 54.399325 54.399325| | 21| 56.144840 56.144840| -0.883279 -0.883279| 0.760902 0.760902| 55.472751 55.472751| | 22| 56.164407 56.164407| -0.645103 -0.645103| 0.946188 0.946188| 55.554018 55.554018| | 23| 56.164407 56.164407| -0.645103 -0.645103| 0.946188 0.946188| 55.554018 55.554018| | 24| 57.572028 57.572028| -0.752476 -0.752476| 0.941369 0.941369| 56.863671 56.863671| | 25| 57.572028 57.572028| -0.752476 -0.752476| 0.941369 0.941369| 56.863671 56.863671| | 26| 61.195301 61.195301| -0.615674 -0.615674| 0.292212 0.292212| 61.015394 61.015394| | 27| 61.195301 61.195301| -0.615674 -0.615674| 0.292212 0.292212| 61.015394 61.015394| | 28| 74.176529 74.176529| -1.306014 -1.306014| 0.445045 0.445045| 73.595294 73.595294| | 29| 83.961589 83.961589| -0.118282 -0.118282| 0.464779 0.464779| 83.906614 83.906614| | 30| 85.927883 85.927883| 0.080041 0.080041| 0.508468 0.508468| 85.968582 85.968582| | 31| 118.365042 118.365042| -0.833918 -0.833918| 0.773896 0.773896| 117.719676 117.719676| | 32| 120.487635 120.487635| -0.702726 -0.702726| 0.797134 0.797134| 119.927468 119.927468| | 33| 120.487635 120.487635| -0.702726 -0.702726| 0.797134 0.797134| 119.927468 119.927468| | 34| 122.540883 122.540883| -0.819119 -0.819119| 0.785743 0.785743| 121.897265 121.897265| | 35| 122.540883 122.540883| -0.819119 -0.819119| 0.785743 0.785743| 121.897265 121.897265| | 36| 129.369532 129.369532| -1.414247 -1.414247| 0.831791 0.831791| 128.193174 128.193174| | 37| 164.504261 164.504261| -0.726552 -0.726552| 0.925173 0.925173| 163.832075 163.832075| | 38| 164.677402 164.677402| -0.866847 -0.866847| 0.948869 0.948869| 163.854877 163.854877| | 39| 164.677402 164.677402| -0.866847 -0.866847| 0.948869 0.948869| 163.854877 163.854877| | 40| 164.736924 164.736924| -0.918969 -0.918969| 0.951052 0.951052| 163.862937 163.862937| | 41| 164.736924 164.736924| -0.918969 -0.918969| 0.951052 0.951052| 163.862937 163.862937| | 42| 164.741352 164.741352| -0.920465 -0.920465| 0.951643 0.951643| 163.865398 163.865398| | 43| 164.741352 164.741352| -0.920465 -0.920465| 0.951643 0.951643| 163.865398 163.865398| | 44| 165.588484 165.588484| -0.957942 -0.957942| 0.949615 0.949615| 164.678808 164.678808| | 45| 165.588484 165.588484| -0.957942 -0.957942| 0.949615 0.949615| 164.678808 164.678808| | 46| 165.588920 165.588920| -0.957367 -0.957367| 0.948959 0.948959| 164.680418 164.680418| | 47| 165.588920 165.588920| -0.957367 -0.957367| 0.948959 0.948959| 164.680418 164.680418| | 48| 165.919268 165.919268| -0.941148 -0.941148| 0.915704 0.915704| 165.057455 165.057455| | 49| 165.919268 165.919268| -0.941148 -0.941148| 0.915704 0.915704| 165.057455 165.057455| | 50| 167.788291 167.788291| -1.001086 -1.001086| 0.924391 0.924391| 166.862896 166.862896| | 51| 219.162816 219.162816| -1.656004 -1.656004| 0.854631 0.854631| 217.747543 217.747543| | 52| 219.676964 219.676964| -2.082379 -2.082379| 0.877680 0.877680| 217.849300 217.849300| | 53| 219.676964 219.676964| -2.082379 -2.082379| 0.877680 0.877680| 217.849300 217.849300| | 54| 220.892223 220.892223| -2.349792 -2.349792| 0.865146 0.865146| 218.859310 218.859310| | 55| 220.892223 220.892223| -2.349792 -2.349792| 0.865146 0.865146| 218.859310 218.859310| | 56| 222.174035 222.174035| -2.462930 -2.462930| 0.856413 0.856413| 220.064749 220.064749| | 57| 222.174035 222.174035| -2.462930 -2.462930| 0.856413 0.856413| 220.064749 220.064749| | 58| 224.345105 224.345105| -2.806823 -2.806823| 0.804541 0.804541| 222.086901 222.086901| | 59| 224.345105 224.345105| -2.806823 -2.806823| 0.804541 0.804541| 222.086901 222.086901| | 60| 234.618142 234.618142| -17.701436 -17.701436| 0.013274 0.013274| 234.383166 234.383166| | 61| 262.018315 262.018315| -2.185113 -2.185113| 0.600326 0.600326| 260.706535 260.706535| | 62| 263.216510 263.216510| -2.448580 -2.448580| 0.845319 0.845319| 261.146679 261.146679| | 63| 263.867130 263.867130| -1.870110 -1.870110| 0.883242 0.883242| 262.215370 262.215370| | 64| 263.867130 263.867130| -1.870110 -1.870110| 0.883242 0.883242| 262.215370 262.215370| | 65| 264.561561 264.561561| -2.995672 -2.995672| 0.860311 0.860311| 261.984351 261.984351| | 66| 265.425191 265.425191| -1.952624 -1.952624| 0.826057 0.826057| 263.812213 263.812213| | 67| 265.425191 265.425191| -1.952624 -1.952624| 0.826057 0.826057| 263.812213 263.812213| | 68| 270.216847 270.216847| -2.338247 -2.338247| 0.806077 0.806077| 268.332039 268.332039| | 69| 604.659901 604.659901| -0.858752 -0.858752| 0.972846 0.972846| 603.824468 603.824468| | 70| 625.071779 625.071779| -4.449775 -4.449775| 0.218973 0.218973| 624.097397 624.097397| -------------------------------------------------------------------------------------------------------------------------------- UG0W0 HOMO energy: -13.480923 eV UG0W0 LUMO energy: 0.650899 eV UG0W0 HOMO-LUMO gap : 14.131823 eV -------------------------------------------------------------------------------------------------------------------------------- RPA@UG0W0 total energy : -1.031691 au RPA@UG0W0 correlation energy: -0.029611 au GM@UG0W0 total energy : -1.058364 au GM@UG0W0 correlation energy: -0.056285 au -------------------------------------------------------------------------------------------------------------------------------- ------------------------------------------------------------- BSE@UGW calculation: spin-conserved manifold ------------------------------------------------------------- | State | Excitation energy (au) | Excitation energy (eV) | ------------------------------------------------------------- | 1 | 0.290054 | 7.892770 | | 2 | 0.303811 | 8.267106 | | 3 | 0.472052 | 12.845186 | | 4 | 0.487087 | 13.254326 | | 5 | 0.580028 | 15.783363 | | 6 | 0.580028 | 15.783363 | | 7 | 0.604744 | 16.455925 | | 8 | 0.606326 | 16.498966 | | 9 | 0.610905 | 16.623568 | | 10 | 0.610905 | 16.623568 | | 11 | 0.633273 | 17.232226 | | 12 | 0.659189 | 17.937433 | | 13 | 0.811338 | 22.077625 | | 14 | 0.811338 | 22.077625 | | 15 | 0.818459 | 22.271412 | | 16 | 0.818459 | 22.271412 | | 17 | 0.996434 | 27.114347 | | 18 | 1.006119 | 27.377903 | | 19 | 1.259424 | 34.270682 | | 20 | 1.264364 | 34.405090 | ------------------------------------------------------------- --------------------------------------------------------------- Transition dipole moment (au) --------------------------------------------------------------- # X Y Z dip. str. osc. str. --------------------------------------------------------------- 1 0.000000 -0.000000 -0.000000 0.000000 0.000000 2 -0.000000 -0.000000 -0.966820 0.934740 0.189323 3 0.000000 -0.000000 0.498960 0.248961 0.078348 4 0.000000 -0.000000 -0.000000 0.000000 0.000000 5 0.000000 -0.000000 -0.000000 0.000000 0.000000 6 -0.000000 -0.000000 -0.000000 0.000000 0.000000 7 0.000000 0.000000 0.448885 0.201498 0.081236 8 -0.000000 0.000000 -0.000000 0.000000 0.000000 9 0.293166 -1.303375 0.000000 1.784733 0.726868 10 1.303375 0.293166 -0.000000 1.784733 0.726868 11 -0.000000 0.000000 0.773520 0.598333 0.252605 12 -0.000000 0.000000 -0.000000 0.000000 0.000000 13 0.128943 -0.006546 -0.000000 0.016669 0.009016 14 -0.006546 -0.128943 -0.000000 0.016669 0.009016 15 0.000000 -0.000000 0.000000 0.000000 0.000000 16 0.000000 0.000000 0.000000 0.000000 0.000000 17 -0.000000 0.000000 -0.000000 0.000000 0.000000 18 0.000000 0.000000 -0.244498 0.059779 0.040097 19 0.000000 0.000000 -0.035898 0.001289 0.001082 20 0.000000 -0.000000 0.000000 0.000000 0.000000 --------------------------------------------------------------- ------------------------------------------------------------- Excitation n. 1: 7.892770 eV f = 0.0000 = 0.2222 ------------------------------------------------------------- 1A -> 2A = -0.697457 1B -> 2B = -0.697457 ------------------------------------------------------------- Excitation n. 2: 8.267106 eV f = 0.1893 = 0.1635 ------------------------------------------------------------- 1A -> 2A = 0.696851 1B -> 2B = -0.696851 ------------------------------------------------------------- Excitation n. 3: 12.845186 eV f = 0.0783 = 1.0763 ------------------------------------------------------------- 1A -> 3A = 0.694731 1B -> 3B = 0.694731 ------------------------------------------------------------- Excitation n. 4: 13.254326 eV f = 0.0000 = 0.9982 ------------------------------------------------------------- 1A -> 3A = -0.703250 1B -> 3B = 0.703250 ------------------------------------------------------------- Excitation n. 5: 15.783363 eV f = 0.0000 = 1.1329 ------------------------------------------------------------- 1A -> 5A = -0.487532 1A -> 6A = -0.483493 1A -> 8A = 0.167060 1B -> 5B = 0.684242 1B -> 8B = 0.165723 ------------------------------------------------------------- Excitation n. 6: 15.783363 eV f = 0.0000 = 1.1329 ------------------------------------------------------------- 1A -> 5A = -0.483493 1A -> 6A = 0.487532 1A -> 9A = -0.167060 1B -> 6B = 0.684242 1B -> 9B = 0.165723 ------------------------------------------------------------- Excitation n. 7: 16.455925 eV f = 0.0812 = 0.9481 ------------------------------------------------------------- 1A -> 2A = 0.100846 1A -> 3A = -0.101384 1A -> 4A = 0.622912 1A -> 7A = 0.299867 1B -> 2B = -0.100846 1B -> 3B = -0.101384 1B -> 4B = -0.622912 1B -> 7B = 0.299867 ------------------------------------------------------------- Excitation n. 8: 16.498966 eV f = 0.0000 = 0.9315 ------------------------------------------------------------- 1A -> 4A = -0.693395 1B -> 4B = -0.693395 ------------------------------------------------------------- Excitation n. 9: 16.623568 eV f = 0.7269 = 0.8883 ------------------------------------------------------------- 1A -> 5A = 0.468709 1A -> 6A = 0.488151 1A -> 8A = -0.203844 1B -> 5B = 0.675570 1B -> 8B = 0.201329 ------------------------------------------------------------- Excitation n. 10: 16.623568 eV f = 0.7269 = 0.8883 ------------------------------------------------------------- 1A -> 5A = -0.488151 1A -> 6A = 0.468709 1A -> 9A = -0.203844 1B -> 6B = -0.675570 1B -> 9B = -0.201329 ------------------------------------------------------------- Excitation n. 11: 17.232226 eV f = 0.2526 = 1.0308 ------------------------------------------------------------- 1A -> 4A = -0.317681 1A -> 7A = 0.617503 1A -> 10A = 0.111342 1B -> 4B = 0.317681 1B -> 7B = 0.617503 1B -> 10B = 0.111342 ------------------------------------------------------------- Excitation n. 12: 17.937433 eV f = 0.0000 = 0.7606 ------------------------------------------------------------- 1A -> 7A = -0.688530 1A -> 10A = -0.118523 1B -> 7B = 0.688530 1B -> 10B = 0.118523 ------------------------------------------------------------- Excitation n. 13: 22.077625 eV f = 0.0090 = 1.1109 ------------------------------------------------------------- 1A -> 5A = 0.103984 1A -> 6A = -0.175958 1A -> 8A = -0.194414 1A -> 9A = -0.647984 1B -> 6B = 0.193304 1B -> 9B = -0.672165 ------------------------------------------------------------- Excitation n. 14: 22.077625 eV f = 0.0090 = 1.1109 ------------------------------------------------------------- 1A -> 5A = -0.175958 1A -> 6A = -0.103984 1A -> 8A = -0.647984 1A -> 9A = 0.194414 1B -> 5B = -0.193304 1B -> 8B = 0.672165 ------------------------------------------------------------- Excitation n. 15: 22.271412 eV f = 0.0000 = 0.8677 ------------------------------------------------------------- 1A -> 5A = -0.116146 1A -> 6A = -0.120726 1A -> 8A = -0.686521 1B -> 5B = 0.167225 1B -> 8B = -0.678170 1B -> 9B = 0.107679 ------------------------------------------------------------- Excitation n. 16: 22.271412 eV f = 0.0000 = 0.8677 ------------------------------------------------------------- 1A -> 5A = 0.120726 1A -> 6A = -0.116146 1A -> 9A = -0.686521 1B -> 6B = -0.167225 1B -> 8B = 0.107679 1B -> 9B = 0.678170 ------------------------------------------------------------- Excitation n. 17: 27.114347 eV f = 0.0000 = 1.1984 ------------------------------------------------------------- 1A -> 7A = -0.114321 1A -> 10A = 0.692664 1B -> 7B = 0.114321 1B -> 10B = -0.692664 ------------------------------------------------------------- Excitation n. 18: 27.377903 eV f = 0.0401 = 0.8001 ------------------------------------------------------------- 1A -> 7A = 0.112343 1A -> 10A = -0.693676 1B -> 7B = 0.112343 1B -> 10B = -0.693676 ------------------------------------------------------------- Excitation n. 19: 34.270682 eV f = 0.0011 = 1.0712 ------------------------------------------------------------- 1A -> 11A = 0.693963 1A -> 12A = -0.114880 1B -> 11B = 0.693963 1B -> 12B = -0.114880 ------------------------------------------------------------- Excitation n. 20: 34.405090 eV f = 0.0000 = 0.9546 ------------------------------------------------------------- 1A -> 11A = 0.686556 1A -> 12A = -0.154823 1B -> 11B = -0.686556 1B -> 12B = 0.154823 Thomas-Reiche-Kuhn sum rule = 2.114460 ------------------------------------------------------------------------------- Tr@BSE@UG0W0 correlation energy (spin-conserved) = -0.0000000000 Tr@BSE@UG0W0 correlation energy (spin-flip) = 0.0000000000 Tr@BSE@UG0W0 correlation energy = -0.0000000000 Tr@BSE@UG0W0 total energy = -1.0020795173 ------------------------------------------------------------------------------- Total CPU time for G0W0 = 0.521 seconds Total CPU time for QuAcK = 19.590 seconds