210 significant shell pairs computed in 0.000144 seconds 0 Computed Electron repulsion integrals Integrals in parallel in 3.374914 seconds ****************************************************************************************** * QuAcK QuAcK QuAcK * * __ __ __ __ __ __ __ __ __ * * <(o )___ <(o )___ <(o )___ <(o )___ <(o )___ <(o )___ <(o )___ <(o )___ <(o )___ * * ( ._> / ( ._> / ( ._> / ( ._> / ( ._> / ( ._> / ( ._> / ( ._> / ( ._> / * *|--------------------------------------------------------------------------------------|* ****************************************************************************************** ---------------------- Number of atoms 2 ---------------------- ---------------------- Number of spin-up electron 2 Number of spin-down electron 0 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 4.3463700886 ------------------ Nuclear repulsion energy = 0.2300770481 ------------------ 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 = 1.126 seconds Lowdin orthogonalization ************************************************ * Unrestricted Hartree-Fock calculation * ************************************************ ---------------------------------------------------------- | # | E(UHF) | Ex(UHF) | Conv | ---------------------------------------------------------- | 1 | -0.9822250147 | -0.6403110459 | 1.000000 | | 2 | -0.9937671724 | -0.6366632559 | 0.019972 | | 3 | -0.9951374433 | -0.6347477498 | 0.007273 | | 4 | -0.9953116275 | -0.6339773374 | 0.002621 | | 5 | -0.9953346190 | -0.6336791655 | 0.000936 | | 6 | -0.9953377177 | -0.6335643412 | 0.000332 | | 7 | -0.9953381410 | -0.6335201171 | 0.000117 | | 8 | -0.9953381995 | -0.6335030739 | 0.000041 | | 9 | -0.9953382076 | -0.6334965026 | 0.000014 | | 10 | -0.9953382088 | -0.6334939681 | 0.000006 | | 11 | -0.9953382089 | -0.6334929904 | 0.000002 | | 12 | -0.9953382089 | -0.6334926132 | 0.000001 | | 13 | -0.9953382090 | -0.6334924676 | 0.000000 | | 14 | -0.9953382090 | -0.6334924114 | 0.000000 | | 15 | -0.9953382090 | -0.6334923897 | 0.000000 | ---------------------------------------------------------- ------------------------------------------------- Summary ------------------------------------------------- One-electron energy: -1.4491977998 au One-electron a energy: -1.4491977998 au One-electron b energy: 0.0000000000 au Kinetic energy: 1.0242987533 au Kinetic a energy: 1.0242987533 au Kinetic b energy: 0.0000000000 au Potential energy: -2.4734965531 au Potential a energy: -2.4734965531 au Potential b energy: 0.0000000000 au ------------------------------------------------- Two-electron energy: 0.2237825427 au Two-electron aa energy: 0.2237825427 au Two-electron ab energy: 0.0000000000 au Two-electron bb energy: 0.0000000000 au Hartree energy: 0.8572749325 au Hartree aa energy: 0.8572749325 au Hartree ab energy: 0.0000000000 au Hartree bb energy: 0.0000000000 au Exchange energy: -0.6334923897 au Exchange a energy: -0.6334923897 au Exchange b energy: 0.0000000000 au ------------------------------------------------- Electronic energy: -1.2254152571 au Nuclear repulsion: 0.2300770481 au UHF energy: -0.9953382090 au ------------------------------------------------- UHF HOMO a energy: -12.634817 eV UHF LUMO a energy: 6.639965 eV UHF HOMOa-LUMOa gap: 19.274782 eV ------------------------------------------------- UHF HOMO b energy: 0.000000 eV UHF LUMO b energy: 0.546123 eV UHF HOMOb-LUMOb gap : 0.000000 eV ------------------------------------------------- S (exact) : 3.000000 S : 3.000000 (exact) : 2.000000 : 2.000000 ------------------------------------------------- Dipole moment (Debye) X Y Z Tot. -0.000000 -0.000000 0.000001 0.000001 ------------------------------------------------- ----------------------------------------- UHF spin-up orbital coefficients ----------------------------------------- 1 2 3 4 5 1 -0.69177409 0.74805511 0.06691892 -0.06435404 -0.13299310 2 0.00489671 -0.00258280 0.17293805 -0.18708390 0.01931934 3 0.00481492 0.00049466 -1.88937197 1.90460531 -0.13631169 4 0.02695524 0.02649207 1.27500119 -1.83665380 0.11387048 5 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 6 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 7 0.00048007 0.00003139 -0.05341901 -0.01157474 0.40034338 8 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 9 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 10 -0.00379339 -0.00273098 0.19446661 0.05096183 -1.43105872 11 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 12 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 13 -0.00391861 -0.00463886 -0.13398726 -0.02368936 0.86949029 14 -0.00053904 0.00051026 0.01766310 -0.01678871 -0.00174028 15 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 16 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 17 -0.00053904 0.00051026 0.01766310 -0.01678871 -0.00174028 18 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 19 -0.00038982 0.00048237 0.01738825 -0.01504844 0.00428779 20 0.00037615 0.00090559 0.19942104 -0.19453545 0.02061379 21 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 22 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 23 0.00037615 0.00090559 0.19942104 -0.19453545 0.02061379 24 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 25 -0.00130252 -0.00006207 0.19387529 -0.20543823 0.00487778 26 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 27 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 28 0.00054740 0.00021838 -0.03595430 -0.00876339 0.26251205 29 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 30 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 31 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 32 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 33 0.00054740 0.00021838 -0.03595430 -0.00876339 0.26251205 34 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 35 0.00106296 0.00046793 -0.07808116 -0.01858833 0.58093240 36 -0.69177447 -0.74805496 0.06691920 0.06435403 -0.13299318 37 0.00489669 0.00258279 0.17293835 0.18708362 0.01931932 38 0.00481484 -0.00049487 -1.88937496 -1.90460230 -0.13631144 39 0.02695551 -0.02649178 1.27500410 1.83665179 0.11387020 40 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 41 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 42 -0.00048007 0.00003142 0.05341900 -0.01157486 -0.40034333 43 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 44 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 45 0.00379339 -0.00273109 -0.19446656 0.05096227 1.43105852 46 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 47 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 48 0.00391863 -0.00463877 0.13398724 -0.02368966 -0.86949011 49 -0.00053904 -0.00051026 0.01766313 0.01678868 -0.00174028 50 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 51 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 52 -0.00053904 -0.00051026 0.01766313 0.01678868 -0.00174028 53 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 54 -0.00038982 -0.00048237 0.01738827 0.01504841 0.00428779 55 0.00037616 -0.00090557 0.19942134 0.19453513 0.02061376 56 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 57 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 58 0.00037616 -0.00090557 0.19942134 0.19453513 0.02061376 59 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 60 -0.00130251 0.00006208 0.19387562 0.20543792 0.00487776 61 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 62 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 63 -0.00054740 0.00021840 0.03595429 -0.00876347 -0.26251201 64 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 65 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 66 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 67 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 68 -0.00054740 0.00021840 0.03595429 -0.00876347 -0.26251201 69 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 70 -0.00106296 0.00046797 0.07808114 -0.01858851 -0.58093232 6 7 8 9 10 1 0.00000000 0.00000000 0.00000000 0.00000000 -0.26284359 2 0.00000000 0.00000000 0.00000000 0.00000000 -0.08528262 3 0.00000000 0.00000000 0.00000000 0.00000000 0.79939611 4 0.00000000 0.00000000 0.00000000 0.00000000 -0.79978471 5 0.33379983 -0.38134051 0.05837624 0.51170280 0.00000000 6 0.38134051 0.33379983 -0.51170280 0.05837624 0.00000000 7 0.00000000 0.00000000 0.00000000 0.00000000 -0.59958505 8 -1.20543963 1.37712161 -0.21056831 -1.84575788 0.00000000 9 -1.37712161 -1.20543963 1.84575788 -0.21056831 0.00000000 10 0.00000000 0.00000000 0.00000000 0.00000000 2.17795339 11 0.66918045 -0.76448694 0.12438641 1.09032167 0.00000000 12 0.76448694 0.66918045 -1.09032167 0.12438641 0.00000000 13 0.00000000 0.00000000 0.00000000 0.00000000 -1.44983067 14 0.00000000 0.00000000 0.00000000 0.00000000 -0.00589660 15 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 16 -0.00153631 0.00175512 0.00032641 0.00286114 0.00000000 17 0.00000000 0.00000000 0.00000000 0.00000000 -0.00589660 18 -0.00175512 -0.00153631 -0.00286114 0.00032641 0.00000000 19 0.00000000 0.00000000 0.00000000 0.00000000 -0.00923045 20 0.00000000 0.00000000 0.00000000 0.00000000 -0.09087402 21 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 22 0.00868428 -0.00992112 -0.00180891 -0.01585616 0.00000000 23 0.00000000 0.00000000 0.00000000 0.00000000 -0.09087402 24 0.00992112 0.00868428 0.01585616 -0.00180891 0.00000000 25 0.00000000 0.00000000 0.00000000 0.00000000 -0.05116075 26 0.48629369 -0.55555295 0.08476274 0.74299642 0.00000000 27 0.24845083 0.21747715 -0.33227810 0.03790705 0.00000000 28 0.00000000 0.00000000 0.00000000 0.00000000 -0.38269105 29 0.21747715 -0.24845083 0.03790705 0.33227810 0.00000000 30 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 31 0.21806372 -0.24912095 0.03778680 0.33122407 0.00000000 32 0.55555295 0.48629369 -0.74299642 0.08476274 0.00000000 33 0.00000000 0.00000000 0.00000000 0.00000000 -0.38269105 34 0.24912095 0.21806372 -0.33122407 0.03778680 0.00000000 35 0.00000000 0.00000000 0.00000000 0.00000000 -0.86134460 36 0.00000000 0.00000000 0.00000000 0.00000000 0.26284356 37 0.00000000 0.00000000 0.00000000 0.00000000 0.08528263 38 0.00000000 0.00000000 0.00000000 0.00000000 -0.79939618 39 0.00000000 0.00000000 0.00000000 0.00000000 0.79978474 40 0.33379966 -0.38134032 -0.05837627 -0.51170311 0.00000000 41 0.38134032 0.33379966 0.51170311 -0.05837627 0.00000000 42 0.00000000 0.00000000 0.00000000 0.00000000 -0.59958512 43 -1.20543902 1.37712091 0.21056844 1.84575898 0.00000000 44 -1.37712091 -1.20543902 -1.84575898 0.21056844 0.00000000 45 0.00000000 0.00000000 0.00000000 0.00000000 2.17795367 46 0.66918006 -0.76448650 -0.12438647 -1.09032224 0.00000000 47 0.76448650 0.66918006 1.09032224 -0.12438647 0.00000000 48 0.00000000 0.00000000 0.00000000 0.00000000 -1.44983080 49 0.00000000 0.00000000 0.00000000 0.00000000 0.00589660 50 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 51 0.00153631 -0.00175512 0.00032641 0.00286114 0.00000000 52 0.00000000 0.00000000 0.00000000 0.00000000 0.00589660 53 0.00175512 0.00153631 -0.00286114 0.00032641 0.00000000 54 0.00000000 0.00000000 0.00000000 0.00000000 0.00923045 55 0.00000000 0.00000000 0.00000000 0.00000000 0.09087403 56 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 57 -0.00868428 0.00992112 -0.00180891 -0.01585615 0.00000000 58 0.00000000 0.00000000 0.00000000 0.00000000 0.09087403 59 -0.00992112 -0.00868428 0.01585615 -0.00180891 0.00000000 60 0.00000000 0.00000000 0.00000000 0.00000000 0.05116077 61 0.48629344 -0.55555267 -0.08476279 -0.74299686 0.00000000 62 0.24845071 0.21747704 0.33227830 -0.03790707 0.00000000 63 0.00000000 0.00000000 0.00000000 0.00000000 -0.38269110 64 0.21747704 -0.24845071 -0.03790707 -0.33227830 0.00000000 65 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 66 0.21806361 -0.24912082 -0.03778683 -0.33122426 0.00000000 67 0.55555267 0.48629344 0.74299686 -0.08476279 0.00000000 68 0.00000000 0.00000000 0.00000000 0.00000000 -0.38269110 69 0.24912082 0.21806361 0.33122426 -0.03778683 0.00000000 70 0.00000000 0.00000000 0.00000000 0.00000000 -0.86134471 11 12 13 14 15 1 -1.98825186 -2.01363628 0.00000000 0.00000000 0.00000000 2 -0.88247683 -1.01704521 0.00000000 0.00000000 0.00000000 3 4.54889103 4.98363557 0.00000000 0.00000000 0.00000000 4 -0.38464532 -0.65539915 0.00000000 0.00000000 0.00000000 5 0.00000000 0.00000000 -0.27981425 1.45985211 -0.02536282 6 0.00000000 0.00000000 -1.45985211 -0.27981425 -1.58229631 7 -0.16455225 0.17368697 0.00000000 0.00000000 0.00000000 8 0.00000000 0.00000000 1.06233518 -5.54243490 0.09631394 9 0.00000000 0.00000000 5.54243490 1.06233518 6.00868564 10 0.60170708 -0.64499776 0.00000000 0.00000000 0.00000000 11 0.00000000 0.00000000 -0.19107150 0.99686177 -0.01921792 12 0.00000000 0.00000000 -0.99686177 -0.19107150 -1.19893794 13 -0.19969646 0.27266048 0.00000000 0.00000000 0.00000000 14 -0.03726890 -0.04434919 0.00000000 0.00000000 0.00000000 15 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 16 0.00000000 0.00000000 0.00511130 -0.02666679 -0.00039349 17 -0.03726890 -0.04434919 0.00000000 0.00000000 0.00000000 18 0.00000000 0.00000000 0.02666679 0.00511130 -0.02454849 19 -0.04699070 -0.03418383 0.00000000 0.00000000 0.00000000 20 -0.66686640 -0.69234768 0.00000000 0.00000000 0.00000000 21 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 22 0.00000000 0.00000000 -0.03419568 0.17840632 0.00277240 23 -0.66686640 -0.69234768 0.00000000 0.00000000 0.00000000 24 0.00000000 0.00000000 -0.17840632 -0.03419568 0.17295993 25 -0.59875033 -0.77734694 0.00000000 0.00000000 0.00000000 26 0.00000000 0.00000000 -0.41382204 2.15900007 -0.03744212 27 0.00000000 0.00000000 -0.96553418 -0.18506684 -1.04463795 28 -0.10842818 0.11050074 0.00000000 0.00000000 0.00000000 29 0.00000000 0.00000000 -0.18506684 0.96553418 -0.01674463 30 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 31 0.00000000 0.00000000 -0.18578859 0.96929968 -0.01670555 32 0.00000000 0.00000000 -2.15900007 -0.41382204 -2.33588146 33 -0.10842818 0.11050074 0.00000000 0.00000000 0.00000000 34 0.00000000 0.00000000 -0.96929968 -0.18578859 -1.04219993 35 -0.24143377 0.25023934 0.00000000 0.00000000 0.00000000 36 -1.98825152 2.01363654 0.00000000 0.00000000 0.00000000 37 -0.88247668 1.01704534 0.00000000 0.00000000 0.00000000 38 4.54889035 -4.98363627 0.00000000 0.00000000 0.00000000 39 -0.38464524 0.65539922 0.00000000 0.00000000 0.00000000 40 0.00000000 0.00000000 -0.27981398 1.45985069 0.02536284 41 0.00000000 0.00000000 -1.45985069 -0.27981398 1.58229761 42 0.16455227 0.17368695 0.00000000 0.00000000 0.00000000 43 0.00000000 0.00000000 1.06233414 -5.54242948 -0.09631402 44 0.00000000 0.00000000 5.54242948 1.06233414 -6.00869053 45 -0.60170716 -0.64499766 0.00000000 0.00000000 0.00000000 46 0.00000000 0.00000000 -0.19107128 0.99686065 0.01921793 47 0.00000000 0.00000000 -0.99686065 -0.19107128 1.19893878 48 0.19969650 0.27266045 0.00000000 0.00000000 0.00000000 49 -0.03726890 0.04434920 0.00000000 0.00000000 0.00000000 50 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 51 0.00000000 0.00000000 -0.00511131 0.02666681 -0.00039349 52 -0.03726890 0.04434920 0.00000000 0.00000000 0.00000000 53 0.00000000 0.00000000 -0.02666681 -0.00511131 -0.02454844 54 -0.04699069 0.03418384 0.00000000 0.00000000 0.00000000 55 -0.66686631 0.69234780 0.00000000 0.00000000 0.00000000 56 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 57 0.00000000 0.00000000 0.03419570 -0.17840642 0.00277239 58 -0.66686631 0.69234780 0.00000000 0.00000000 0.00000000 59 0.00000000 0.00000000 0.17840642 0.03419570 0.17295960 60 -0.59875024 0.77734702 0.00000000 0.00000000 0.00000000 61 0.00000000 0.00000000 -0.41382164 2.15899798 0.03744216 62 0.00000000 0.00000000 -0.96553325 -0.18506666 1.04463880 63 0.10842819 0.11050072 0.00000000 0.00000000 0.00000000 64 0.00000000 0.00000000 -0.18506666 0.96553325 0.01674464 65 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 66 0.00000000 0.00000000 -0.18578841 0.96929875 0.01670556 67 0.00000000 0.00000000 -2.15899798 -0.41382164 2.33588338 68 0.10842819 0.11050072 0.00000000 0.00000000 0.00000000 69 0.00000000 0.00000000 -0.96929875 -0.18578841 1.04220080 70 0.24143380 0.25023930 0.00000000 0.00000000 0.00000000 16 17 18 19 20 1 0.00000000 0.37275213 -0.18023089 -0.20754580 0.00000000 2 0.00000000 0.06040530 -0.06962731 -0.10097021 0.00000000 3 0.00000000 -0.60473648 0.36400592 0.69956304 0.00000000 4 0.00000000 0.05094859 -0.39301935 -0.10271190 0.00000000 5 -1.58229631 0.00000000 0.00000000 0.00000000 -0.18658631 6 0.02536282 0.00000000 0.00000000 0.00000000 0.40271482 7 0.00000000 -1.29406526 -1.56090703 -1.09426853 0.00000000 8 6.00868564 0.00000000 0.00000000 0.00000000 0.71181467 9 -0.09631394 0.00000000 0.00000000 0.00000000 -1.53633096 10 0.00000000 4.84696150 5.97581815 4.20360796 0.00000000 11 -1.19893794 0.00000000 0.00000000 0.00000000 -0.15200819 12 0.01921792 0.00000000 0.00000000 0.00000000 0.32808384 13 0.00000000 -0.89410927 -1.46749730 -0.75246320 0.00000000 14 0.00000000 0.05532014 0.00675716 -0.03908512 0.00000000 15 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 16 -0.02454849 0.00000000 0.00000000 0.00000000 -0.04375436 17 0.00000000 0.05532014 0.00675716 -0.03908512 0.00000000 18 0.00039349 0.00000000 0.00000000 0.00000000 0.09443634 19 0.00000000 -0.08076444 -0.02041032 0.05581685 0.00000000 20 0.00000000 -0.22130503 -0.09113132 0.12725023 0.00000000 21 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 22 0.17295993 0.00000000 0.00000000 0.00000000 0.30888779 23 0.00000000 -0.22130503 -0.09113132 0.12725023 0.00000000 24 -0.00277240 0.00000000 0.00000000 0.00000000 -0.66668179 25 0.00000000 0.64987070 0.16728447 -0.58404622 0.00000000 26 -2.33588146 0.00000000 0.00000000 0.00000000 -0.27571935 27 0.01674463 0.00000000 0.00000000 0.00000000 0.26613383 28 0.00000000 -0.87284188 -1.01368573 -0.72055004 0.00000000 29 -1.04463795 0.00000000 0.00000000 0.00000000 -0.12330544 30 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 31 -1.04219993 0.00000000 0.00000000 0.00000000 -0.12113535 32 0.03744212 0.00000000 0.00000000 0.00000000 0.59509334 33 0.00000000 -0.87284188 -1.01368573 -0.72055004 0.00000000 34 0.01670555 0.00000000 0.00000000 0.00000000 0.26145007 35 0.00000000 -1.91884800 -2.28400068 -1.61244533 0.00000000 36 0.00000000 0.37278935 0.18015395 -0.20754588 0.00000000 37 0.00000000 0.06041971 0.06961483 -0.10097026 0.00000000 38 0.00000000 -0.60481173 -0.36388106 0.69956323 0.00000000 39 0.00000000 0.05102968 0.39300882 -0.10271196 0.00000000 40 1.58229761 0.00000000 0.00000000 0.00000000 -0.18658653 41 -0.02536284 0.00000000 0.00000000 0.00000000 0.40271531 42 0.00000000 1.29374325 -1.56117382 1.09426881 0.00000000 43 -6.00869053 0.00000000 0.00000000 0.00000000 0.71181553 44 0.09631402 0.00000000 0.00000000 0.00000000 -1.53633280 45 0.00000000 -4.84572870 5.97681735 -4.20360899 0.00000000 46 1.19893878 0.00000000 0.00000000 0.00000000 -0.15200837 47 -0.01921793 0.00000000 0.00000000 0.00000000 0.32808423 48 0.00000000 0.89380654 -1.46768160 0.75246338 0.00000000 49 0.00000000 0.05531875 -0.00676859 -0.03908511 0.00000000 50 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 51 -0.02454844 0.00000000 0.00000000 0.00000000 0.04375434 52 0.00000000 0.05531875 -0.00676859 -0.03908511 0.00000000 53 0.00039349 0.00000000 0.00000000 0.00000000 -0.09443631 54 0.00000000 -0.08076023 0.02042700 0.05581684 0.00000000 55 0.00000000 -0.22128617 0.09117703 0.12725016 0.00000000 56 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 57 0.17295960 0.00000000 0.00000000 0.00000000 -0.30888769 58 0.00000000 -0.22128617 0.09117703 0.12725016 0.00000000 59 -0.00277239 0.00000000 0.00000000 0.00000000 0.66668157 60 0.00000000 0.64983616 -0.16741866 -0.58404614 0.00000000 61 2.33588338 0.00000000 0.00000000 0.00000000 -0.27571968 62 -0.01674464 0.00000000 0.00000000 0.00000000 0.26613415 63 0.00000000 0.87263276 -1.01386568 0.72055022 0.00000000 64 1.04463880 0.00000000 0.00000000 0.00000000 -0.12330559 65 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 66 1.04220080 0.00000000 0.00000000 0.00000000 -0.12113550 67 -0.03744216 0.00000000 0.00000000 0.00000000 0.59509405 68 0.00000000 0.87263276 -1.01386568 0.72055022 0.00000000 69 -0.01670556 0.00000000 0.00000000 0.00000000 0.26145039 70 0.00000000 1.91837682 -2.28439627 1.61244574 0.00000000 21 22 23 24 25 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 -0.40271482 0.00000000 0.00000000 0.00000000 0.00000000 6 -0.18658631 0.00000000 0.00000000 0.00000000 0.00000000 7 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 8 1.53633096 0.00000000 0.00000000 0.00000000 0.00000000 9 0.71181467 0.00000000 0.00000000 0.00000000 0.00000000 10 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 11 -0.32808384 0.00000000 0.00000000 0.00000000 0.00000000 12 -0.15200819 0.00000000 0.00000000 0.00000000 0.00000000 13 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 14 0.00000000 0.09050026 0.00004021 0.08960917 -0.00021256 15 0.00000000 0.00004643 -0.10450070 -0.00024544 -0.10347176 16 -0.09443634 0.00000000 0.00000000 0.00000000 0.00000000 17 0.00000000 -0.09050026 -0.00004021 -0.08960917 0.00021256 18 -0.04375436 0.00000000 0.00000000 0.00000000 0.00000000 19 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 20 0.00000000 -0.66017930 -0.00029335 -0.66111431 0.00156822 21 0.00000000 -0.00033873 0.76230939 0.00181082 0.76338905 22 0.66668179 0.00000000 0.00000000 0.00000000 0.00000000 23 0.00000000 0.66017930 0.00029335 0.66111431 -0.00156822 24 0.30888779 0.00000000 0.00000000 0.00000000 0.00000000 25 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 26 -0.59509334 0.00000000 0.00000000 0.00000000 0.00000000 27 -0.12330544 0.00000000 0.00000000 0.00000000 0.00000000 28 0.00000000 -0.00075393 -0.00000034 0.00028499 -0.00000068 29 -0.26613383 0.00000000 0.00000000 0.00000000 0.00000000 30 0.00000000 -0.00000039 0.00087057 -0.00000078 -0.00032908 31 -0.26145007 0.00000000 0.00000000 0.00000000 0.00000000 32 -0.27571935 0.00000000 0.00000000 0.00000000 0.00000000 33 0.00000000 0.00075393 0.00000034 -0.00028499 0.00000068 34 -0.12113535 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 -0.40271531 0.00000000 0.00000000 0.00000000 0.00000000 41 -0.18658653 0.00000000 0.00000000 0.00000000 0.00000000 42 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 43 1.53633280 0.00000000 0.00000000 0.00000000 0.00000000 44 0.71181553 0.00000000 0.00000000 0.00000000 0.00000000 45 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 46 -0.32808423 0.00000000 0.00000000 0.00000000 0.00000000 47 -0.15200837 0.00000000 0.00000000 0.00000000 0.00000000 48 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 49 0.00000000 0.09049986 0.00004021 -0.08960959 0.00021256 50 0.00000000 0.00004643 -0.10450024 0.00024544 0.10347224 51 0.09443631 0.00000000 0.00000000 0.00000000 0.00000000 52 0.00000000 -0.09049986 -0.00004021 0.08960959 -0.00021256 53 0.04375434 0.00000000 0.00000000 0.00000000 0.00000000 54 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 55 0.00000000 -0.66017628 -0.00029335 0.66111733 -0.00156822 56 0.00000000 -0.00033873 0.76230591 -0.00181083 -0.76339253 57 -0.66668157 0.00000000 0.00000000 0.00000000 0.00000000 58 0.00000000 0.66017628 0.00029335 -0.66111733 0.00156822 59 -0.30888769 0.00000000 0.00000000 0.00000000 0.00000000 60 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 61 -0.59509405 0.00000000 0.00000000 0.00000000 0.00000000 62 -0.12330559 0.00000000 0.00000000 0.00000000 0.00000000 63 0.00000000 0.00075393 0.00000034 0.00028499 -0.00000068 64 -0.26613415 0.00000000 0.00000000 0.00000000 0.00000000 65 0.00000000 0.00000039 -0.00087057 -0.00000078 -0.00032908 66 -0.26145039 0.00000000 0.00000000 0.00000000 0.00000000 67 -0.27571968 0.00000000 0.00000000 0.00000000 0.00000000 68 0.00000000 -0.00075393 -0.00000034 -0.00028499 0.00000068 69 -0.12113550 0.00000000 0.00000000 0.00000000 0.00000000 70 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 26 27 28 29 30 1 0.00000000 0.00000000 0.00861496 -1.20747075 1.30663731 2 0.00000000 0.00000000 0.29172349 -0.04425570 -0.19375730 3 0.00000000 0.00000000 -0.08763041 4.63006851 -4.27862172 4 0.00000000 0.00000000 -0.30880611 -0.48726449 0.28233294 5 -0.00482060 0.43699245 0.00000000 0.00000000 0.00000000 6 0.43699245 0.00482060 0.00000000 0.00000000 0.00000000 7 0.00000000 0.00000000 -0.90472704 0.11886910 -0.09598983 8 0.01855699 -1.68221141 0.00000000 0.00000000 0.00000000 9 -1.68221141 -0.01855699 0.00000000 0.00000000 0.00000000 10 0.00000000 0.00000000 3.46304125 -0.43988618 0.37719055 11 -0.00454149 0.41169075 0.00000000 0.00000000 0.00000000 12 0.41169075 0.00454149 0.00000000 0.00000000 0.00000000 13 0.00000000 0.00000000 -1.19935945 0.23919187 -0.03691379 14 0.00000000 0.00000000 -0.05347239 -0.07419886 0.09828690 15 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 16 0.00105671 -0.09579161 0.00000000 0.00000000 0.00000000 17 0.00000000 0.00000000 -0.05347239 -0.07419886 0.09828690 18 -0.09579161 -0.00105671 0.00000000 0.00000000 0.00000000 19 0.00000000 0.00000000 0.07002098 -0.10420724 0.08198339 20 0.00000000 0.00000000 0.31347768 -1.49488812 1.31476701 21 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 22 -0.00828806 0.75132160 0.00000000 0.00000000 0.00000000 23 0.00000000 0.00000000 0.31347768 -1.49488812 1.31476701 24 0.75132160 0.00828806 0.00000000 0.00000000 0.00000000 25 0.00000000 0.00000000 -0.87841966 -1.16478586 1.39749751 26 -0.00708489 0.64225303 0.00000000 0.00000000 0.00000000 27 0.28722429 0.00316846 0.00000000 0.00000000 0.00000000 28 0.00000000 0.00000000 -0.60191640 0.08058726 -0.06822225 29 -0.00316846 0.28722429 0.00000000 0.00000000 0.00000000 30 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 31 -0.00307864 0.27908228 0.00000000 0.00000000 0.00000000 32 0.64225303 0.00708489 0.00000000 0.00000000 0.00000000 33 0.00000000 0.00000000 -0.60191640 0.08058726 -0.06822225 34 0.27908228 0.00307864 0.00000000 0.00000000 0.00000000 35 0.00000000 0.00000000 -1.29030166 0.15679822 -0.14404540 36 0.00000000 0.00000000 -0.00861496 1.20743490 1.30667061 37 0.00000000 0.00000000 -0.29172349 0.04426098 -0.19375615 38 0.00000000 0.00000000 0.08763050 -4.62995084 -4.27874905 39 0.00000000 0.00000000 0.30880610 0.48725669 0.28234630 40 0.00482060 -0.43699242 0.00000000 0.00000000 0.00000000 41 -0.43699242 -0.00482060 0.00000000 0.00000000 0.00000000 42 0.00000000 0.00000000 -0.90472709 0.11886644 0.09599309 43 -0.01855698 1.68221125 0.00000000 0.00000000 0.00000000 44 1.68221125 0.01855698 0.00000000 0.00000000 0.00000000 45 0.00000000 0.00000000 3.46304142 -0.43987574 -0.37720261 46 0.00454149 -0.41169069 0.00000000 0.00000000 0.00000000 47 -0.41169069 -0.00454149 0.00000000 0.00000000 0.00000000 48 0.00000000 0.00000000 -1.19935947 0.23919085 0.03692034 49 0.00000000 0.00000000 0.05347240 0.07419616 0.09828894 50 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 51 0.00105671 -0.09579166 0.00000000 0.00000000 0.00000000 52 0.00000000 0.00000000 0.05347240 0.07419616 0.09828894 53 -0.09579166 -0.00105671 0.00000000 0.00000000 0.00000000 54 0.00000000 0.00000000 -0.07002099 0.10420498 0.08198625 55 0.00000000 0.00000000 -0.31347775 1.49485197 1.31480811 56 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 57 -0.00828806 0.75132190 0.00000000 0.00000000 0.00000000 58 0.00000000 0.00000000 -0.31347775 1.49485197 1.31480811 59 0.75132190 0.00828806 0.00000000 0.00000000 0.00000000 60 0.00000000 0.00000000 0.87841969 1.16474742 1.39752957 61 0.00708489 -0.64225298 0.00000000 0.00000000 0.00000000 62 -0.28722426 -0.00316846 0.00000000 0.00000000 0.00000000 63 0.00000000 0.00000000 -0.60191643 0.08058537 0.06822446 64 0.00316846 -0.28722426 0.00000000 0.00000000 0.00000000 65 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 66 0.00307864 -0.27908226 0.00000000 0.00000000 0.00000000 67 -0.64225298 -0.00708489 0.00000000 0.00000000 0.00000000 68 0.00000000 0.00000000 -0.60191643 0.08058537 0.06822446 69 -0.27908226 -0.00307864 0.00000000 0.00000000 0.00000000 70 0.00000000 0.00000000 -1.29030173 0.15679422 0.14404970 31 32 33 34 35 1 0.23692553 0.00000000 0.00000000 0.00000000 0.00000000 2 -0.08601270 0.00000000 0.00000000 0.00000000 0.00000000 3 -0.23752007 0.00000000 0.00000000 0.00000000 0.00000000 4 -0.03881659 0.00000000 0.00000000 0.00000000 0.00000000 5 0.00000000 -0.45772653 -2.83995947 0.01696829 -2.97655297 6 0.00000000 -2.83995947 0.45772653 -2.97655297 -0.01696829 7 -3.09578349 0.00000000 0.00000000 0.00000000 0.00000000 8 0.00000000 1.42269964 8.82712500 -0.05298670 9.29484936 9 0.00000000 8.82712500 -1.42269964 9.29484936 0.05298670 10 9.75100971 -0.00000000 0.00000000 0.00000000 0.00000000 11 0.00000000 -0.13847863 -0.85918918 0.00568805 -0.99778967 12 0.00000000 -0.85918918 0.13847863 -0.99778967 -0.00568805 13 -0.99264021 0.00000000 0.00000000 0.00000000 0.00000000 14 0.02342647 0.00000000 0.00000000 0.00000000 0.00000000 15 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 16 0.00000000 0.00003293 0.00020431 0.00001689 -0.00296353 17 0.02342647 0.00000000 0.00000000 0.00000000 0.00000000 18 0.00000000 0.00020431 -0.00003293 -0.00296353 -0.00001689 19 -0.01144473 0.00000000 0.00000000 0.00000000 0.00000000 20 0.06975599 0.00000000 0.00000000 0.00000000 0.00000000 21 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 22 0.00000000 0.00379461 0.02354360 0.00019223 -0.03372039 23 0.06975599 0.00000000 0.00000000 0.00000000 0.00000000 24 0.00000000 0.02354360 -0.00379461 -0.03372039 -0.00019223 25 0.06166935 0.00000000 0.00000000 0.00000000 0.00000000 26 0.00000000 -0.68476791 -4.24863529 0.02538013 -4.45214465 27 0.00000000 -1.90004746 0.30623752 -1.99105961 -0.01135034 28 -2.10012117 0.00000000 0.00000000 0.00000000 0.00000000 29 0.00000000 -0.30623752 -1.90004746 0.01135034 -1.99105961 30 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 31 0.00000000 -0.30814367 -1.91187414 0.01124424 -1.97244794 32 0.00000000 -4.24863529 0.68476791 -4.45214465 -0.02538013 33 -2.10012117 0.00000000 0.00000000 0.00000000 0.00000000 34 0.00000000 -1.91187414 0.30814367 -1.97244794 -0.01124424 35 -4.62344998 0.00000000 0.00000000 0.00000000 0.00000000 36 0.23692558 0.00000000 0.00000000 0.00000000 0.00000000 37 -0.08601272 0.00000000 0.00000000 0.00000000 0.00000000 38 -0.23752019 0.00000000 0.00000000 0.00000000 0.00000000 39 -0.03881648 0.00000000 0.00000000 0.00000000 0.00000000 40 0.00000000 -0.45772550 -2.83995306 -0.01696833 2.97655922 41 0.00000000 -2.83995306 0.45772550 2.97655922 0.01696833 42 3.09578232 0.00000000 0.00000000 0.00000000 0.00000000 43 0.00000000 1.42269641 8.82710497 0.05298681 -9.29486881 44 0.00000000 8.82710497 -1.42269641 -9.29486881 -0.05298681 45 -9.75100605 0.00000000 0.00000000 0.00000000 0.00000000 46 0.00000000 -0.13847828 -0.85918702 -0.00568806 0.99779156 47 0.00000000 -0.85918702 0.13847828 0.99779156 0.00568806 48 0.99263970 0.00000000 0.00000000 0.00000000 0.00000000 49 0.02342647 0.00000000 0.00000000 0.00000000 0.00000000 50 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 51 0.00000000 -0.00003293 -0.00020432 0.00001689 -0.00296353 52 0.02342647 0.00000000 0.00000000 0.00000000 0.00000000 53 0.00000000 -0.00020432 0.00003293 -0.00296353 -0.00001689 54 -0.01144473 0.00000000 0.00000000 0.00000000 0.00000000 55 0.06975600 0.00000000 0.00000000 0.00000000 0.00000000 56 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 57 0.00000000 -0.00379462 -0.02354367 0.00019223 -0.03372034 58 0.06975600 0.00000000 0.00000000 0.00000000 0.00000000 59 0.00000000 -0.02354367 0.00379462 -0.03372034 -0.00019223 60 0.06166940 0.00000000 0.00000000 0.00000000 0.00000000 61 0.00000000 -0.68476636 -4.24862571 -0.02538018 4.45215402 62 0.00000000 -1.90004318 0.30623683 1.99106381 0.01135036 63 2.10012041 0.00000000 0.00000000 0.00000000 0.00000000 64 0.00000000 -0.30623683 -1.90004318 -0.01135036 1.99106381 65 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 66 0.00000000 -0.30814298 -1.91186990 -0.01124426 1.97245217 67 0.00000000 -4.24862571 0.68476636 4.45215402 0.02538018 68 2.10012041 0.00000000 0.00000000 0.00000000 0.00000000 69 0.00000000 -1.91186990 0.30814298 1.97245217 0.01124426 70 4.62344828 0.00000000 0.00000000 0.00000000 0.00000000 36 37 38 39 40 1 0.19509406 -0.20291910 0.00000000 0.00000000 0.00000000 2 -0.06785485 0.04923536 0.00000000 0.00000000 0.00000000 3 -0.29752315 0.27499362 0.00000000 0.00000000 0.00000000 4 0.26597847 0.00597200 0.00000000 0.00000000 0.00000000 5 0.00000000 0.00000000 -0.02331261 -0.08480616 0.00000000 6 0.00000000 0.00000000 -0.08480616 0.02331261 0.00000000 7 3.17931552 -0.07563890 0.00000000 0.00000000 0.00000000 8 0.00000000 0.00000000 0.07466545 0.27161655 0.00000000 9 0.00000000 0.00000000 0.27161655 -0.07466545 0.00000000 10 -9.98070866 0.17794331 0.00000000 0.00000000 0.00000000 11 0.00000000 0.00000000 -0.01264172 -0.04598783 0.00000000 12 0.00000000 0.00000000 -0.04598783 0.01264172 0.00000000 13 1.34813888 -0.00394874 0.00000000 0.00000000 0.00000000 14 0.01378104 -0.02209440 0.00000000 0.00000000 0.00072512 15 0.00000000 0.00000000 0.00000000 0.00000000 -0.00000064 16 0.00000000 0.00000000 -0.00207514 -0.00754891 0.00000000 17 0.01378104 -0.02209440 0.00000000 0.00000000 -0.00072512 18 0.00000000 0.00000000 -0.00754891 0.00207514 0.00000000 19 0.00355885 0.00491908 0.00000000 0.00000000 0.00000000 20 0.00557529 -0.04621529 0.00000000 0.00000000 0.00076357 21 0.00000000 0.00000000 0.00000000 0.00000000 -0.00000068 22 0.00000000 0.00000000 -0.00083625 -0.00304208 0.00000000 23 0.00557529 -0.04621529 0.00000000 0.00000000 -0.00076357 24 0.00000000 0.00000000 -0.00304208 0.00083625 0.00000000 25 0.14139660 -0.03701169 0.00000000 0.00000000 0.00000000 26 0.00000000 0.00000000 -0.14754704 -0.53674379 0.00000000 27 0.00000000 0.00000000 -0.24003912 0.06598504 0.00000000 28 2.09435859 0.43679368 0.00000000 0.00000000 -0.61238199 29 0.00000000 0.00000000 -0.06598504 -0.24003912 0.00000000 30 0.00000000 0.00000000 0.00000000 0.00000000 0.00054234 31 0.00000000 0.00000000 0.19061037 0.69339875 0.00000000 32 0.00000000 0.00000000 -0.53674379 0.14754704 0.00000000 33 2.09435859 0.43679368 0.00000000 0.00000000 0.61238199 34 0.00000000 0.00000000 0.69339875 -0.19061037 0.00000000 35 4.68697586 -0.78913545 0.00000000 0.00000000 0.00000000 36 -0.19509400 -0.20291920 0.00000000 0.00000000 0.00000000 37 0.06785482 0.04923524 0.00000000 0.00000000 0.00000000 38 0.29752309 0.27499422 0.00000000 0.00000000 0.00000000 39 -0.26597848 0.00597197 0.00000000 0.00000000 0.00000000 40 0.00000000 0.00000000 -0.02331290 -0.08480721 0.00000000 41 0.00000000 0.00000000 -0.08480721 0.02331290 0.00000000 42 3.17931663 0.07563856 0.00000000 0.00000000 0.00000000 43 0.00000000 0.00000000 0.07466637 0.27161991 0.00000000 44 0.00000000 0.00000000 0.27161991 -0.07466637 0.00000000 45 -9.98071218 -0.17794206 0.00000000 0.00000000 0.00000000 46 0.00000000 0.00000000 -0.01264189 -0.04598842 0.00000000 47 0.00000000 0.00000000 -0.04598842 0.01264189 0.00000000 48 1.34813922 0.00394835 0.00000000 0.00000000 0.00000000 49 -0.01378104 -0.02209446 0.00000000 0.00000000 0.00072523 50 0.00000000 0.00000000 0.00000000 0.00000000 -0.00000064 51 0.00000000 0.00000000 0.00207517 0.00754901 0.00000000 52 -0.01378104 -0.02209446 0.00000000 0.00000000 -0.00072523 53 0.00000000 0.00000000 0.00754901 -0.00207517 0.00000000 54 -0.00355885 0.00491916 0.00000000 0.00000000 0.00000000 55 -0.00557527 -0.04621546 0.00000000 0.00000000 0.00076357 56 0.00000000 0.00000000 0.00000000 0.00000000 -0.00000068 57 0.00000000 0.00000000 0.00083626 0.00304213 0.00000000 58 -0.00557527 -0.04621546 0.00000000 0.00000000 -0.00076357 59 0.00000000 0.00000000 0.00304213 -0.00083626 0.00000000 60 -0.14139658 -0.03701176 0.00000000 0.00000000 0.00000000 61 0.00000000 0.00000000 -0.14754644 -0.53674162 0.00000000 62 0.00000000 0.00000000 -0.24003815 0.06598477 0.00000000 63 2.09435936 -0.43679306 0.00000000 0.00000000 0.61233157 64 0.00000000 0.00000000 -0.06598477 -0.24003815 0.00000000 65 0.00000000 0.00000000 0.00000000 0.00000000 -0.00054229 66 0.00000000 0.00000000 0.19060840 0.69339159 0.00000000 67 0.00000000 0.00000000 -0.53674162 0.14754644 0.00000000 68 2.09435936 -0.43679306 0.00000000 0.00000000 -0.61233157 69 0.00000000 0.00000000 0.69339159 -0.19060840 0.00000000 70 4.68697755 0.78913367 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 0.00000056 0.00000000 0.00000000 0.00000000 0.00000000 15 0.00083730 0.00000000 0.00000000 0.00000000 0.00000000 16 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 17 -0.00000056 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 0.00000059 0.00000000 0.00000000 0.00000000 0.00000000 21 0.00088169 0.00000000 0.00000000 0.00000000 0.00000000 22 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 23 -0.00000059 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 0.55505150 0.07082610 0.54773133 -0.10904992 27 0.00000000 -0.09502318 0.74467973 0.14630582 0.73485870 28 -0.00046968 0.00000000 0.00000000 0.00000000 0.00000000 29 0.00000000 -0.74467973 -0.09502318 -0.73485870 0.14630582 30 -0.70711781 0.00000000 0.00000000 0.00000000 0.00000000 31 0.00000000 -0.00000000 0.00000000 0.00000000 0.00000000 32 0.00000000 0.07082610 -0.55505150 -0.10904992 -0.54773133 33 0.00046968 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 0.00000056 0.00000000 0.00000000 0.00000000 0.00000000 50 0.00083742 0.00000000 0.00000000 0.00000000 0.00000000 51 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 52 -0.00000056 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 0.00000059 0.00000000 0.00000000 0.00000000 0.00000000 56 0.00088169 0.00000000 0.00000000 0.00000000 0.00000000 57 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 58 -0.00000059 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 0.55398845 0.07069045 -0.54878237 0.10925918 62 0.00000000 -0.09484119 0.74325349 -0.14658657 -0.73626882 63 0.00046964 0.00000000 0.00000000 0.00000000 0.00000000 64 0.00000000 -0.74325349 -0.09484119 0.73626882 -0.14658657 65 0.70705959 0.00000000 0.00000000 0.00000000 0.00000000 66 0.00000000 -0.00000000 0.00000000 0.00000000 0.00000000 67 0.00000000 0.07069045 -0.55398845 0.10925918 0.54878237 68 -0.00046964 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 0.04967437 2 0.00000000 0.00000000 0.00000000 0.00000000 0.06544754 3 0.00000000 0.00000000 0.00000000 0.00000000 -0.32877165 4 0.00000000 0.00000000 0.00000000 0.00000000 0.01506565 5 0.00000000 0.00000000 0.11250129 0.05124461 0.00000000 6 0.00000000 0.00000000 0.05124461 -0.11250129 0.00000000 7 0.00000000 0.00000000 0.00000000 0.00000000 -0.19451397 8 0.00000000 0.00000000 -0.36056882 -0.16423997 0.00000000 9 0.00000000 0.00000000 -0.16423997 0.36056882 0.00000000 10 0.00000000 0.00000000 0.00000000 0.00000000 0.71573867 11 0.00000000 0.00000000 0.06419619 0.02924152 0.00000000 12 0.00000000 0.00000000 0.02924152 -0.06419619 0.00000000 13 0.00000000 0.00000000 0.00000000 0.00000000 -0.21652559 14 0.00127248 -0.00000224 0.00000000 0.00000000 0.03484536 15 0.00000259 0.00146933 0.00000000 0.00000000 0.00000000 16 0.00000000 0.00000000 0.01129841 0.00514645 0.00000000 17 -0.00127248 0.00000224 0.00000000 0.00000000 0.03484536 18 0.00000000 0.00000000 0.00514645 -0.01129841 0.00000000 19 0.00000000 0.00000000 0.00000000 0.00000000 -0.04368240 20 0.00002361 -0.00000004 0.00000000 0.00000000 0.09363328 21 0.00000005 0.00002726 0.00000000 0.00000000 0.00000000 22 0.00000000 0.00000000 0.00480411 0.00218828 0.00000000 23 -0.00002361 0.00000004 0.00000000 0.00000000 0.09363328 24 0.00000000 0.00000000 0.00218828 -0.00480411 0.00000000 25 0.00000000 0.00000000 0.00000000 0.00000000 0.03654160 26 0.00000000 0.00000000 -0.23644195 -0.10769988 0.00000000 27 0.00000000 0.00000000 -0.04816485 0.10574006 0.00000000 28 0.61235939 -0.00107776 0.00000000 0.00000000 0.34202598 29 0.00000000 0.00000000 -0.10574006 -0.04816485 0.00000000 30 0.00124449 0.70709172 0.00000000 0.00000000 0.00000000 31 0.00000000 0.00000000 0.77547450 0.35323051 0.00000000 32 0.00000000 0.00000000 -0.10769988 0.23644195 0.00000000 33 -0.61235939 0.00107776 0.00000000 0.00000000 0.34202598 34 0.00000000 0.00000000 0.35323051 -0.77547450 0.00000000 35 0.00000000 0.00000000 0.00000000 0.00000000 -1.00427177 36 0.00000000 0.00000000 0.00000000 0.00000000 -0.04967401 37 0.00000000 0.00000000 0.00000000 0.00000000 -0.06544762 38 0.00000000 0.00000000 0.00000000 0.00000000 0.32877116 39 0.00000000 0.00000000 0.00000000 0.00000000 -0.01506565 40 0.00000000 0.00000000 -0.11250060 -0.05124430 0.00000000 41 0.00000000 0.00000000 -0.05124430 0.11250060 0.00000000 42 0.00000000 0.00000000 0.00000000 0.00000000 -0.19451410 43 0.00000000 0.00000000 0.36056661 0.16423897 0.00000000 44 0.00000000 0.00000000 0.16423897 -0.36056661 0.00000000 45 0.00000000 0.00000000 0.00000000 0.00000000 0.71573898 46 0.00000000 0.00000000 -0.06419581 -0.02924135 0.00000000 47 0.00000000 0.00000000 -0.02924135 0.06419581 0.00000000 48 0.00000000 0.00000000 0.00000000 0.00000000 -0.21652559 49 -0.00127242 0.00000224 0.00000000 0.00000000 -0.03484531 50 -0.00000259 -0.00146926 0.00000000 0.00000000 0.00000000 51 0.00000000 0.00000000 0.01129834 0.00514642 0.00000000 52 0.00127242 -0.00000224 0.00000000 0.00000000 -0.03484531 53 0.00000000 0.00000000 0.00514642 -0.01129834 0.00000000 54 0.00000000 0.00000000 0.00000000 0.00000000 0.04368238 55 -0.00002355 0.00000004 0.00000000 0.00000000 -0.09363320 56 -0.00000005 -0.00002719 0.00000000 0.00000000 0.00000000 57 0.00000000 0.00000000 0.00480409 0.00218827 0.00000000 58 0.00002355 -0.00000004 0.00000000 0.00000000 -0.09363320 59 0.00000000 0.00000000 0.00218827 -0.00480409 0.00000000 60 0.00000000 0.00000000 0.00000000 0.00000000 -0.03654153 61 0.00000000 0.00000000 0.23644635 0.10770189 0.00000000 62 0.00000000 0.00000000 0.04816575 -0.10574202 0.00000000 63 0.61240981 -0.00107785 0.00000000 0.00000000 0.34202676 64 0.00000000 0.00000000 0.10574202 0.04816575 0.00000000 65 0.00124460 0.70714994 0.00000000 0.00000000 0.00000000 66 0.00000000 0.00000000 -0.77548021 -0.35323311 0.00000000 67 0.00000000 0.00000000 0.10770189 -0.23644635 0.00000000 68 -0.61240981 0.00107785 0.00000000 0.00000000 0.34202676 69 0.00000000 0.00000000 -0.35323311 0.77548021 0.00000000 70 0.00000000 0.00000000 0.00000000 0.00000000 -1.00427317 51 52 53 54 55 1 0.23033344 0.00000000 0.00000000 0.00000000 0.00000000 2 -0.04159402 0.00000000 0.00000000 0.00000000 0.00000000 3 -0.31846341 0.00000000 0.00000000 0.00000000 0.00000000 4 -0.00592204 0.00000000 0.00000000 0.00000000 0.00000000 5 0.00000000 -0.05963483 -0.02085785 0.00000000 0.00000000 6 0.00000000 0.02085785 -0.05963483 0.00000000 0.00000000 7 0.06485897 0.00000000 0.00000000 0.00000000 0.00000000 8 0.00000000 0.17609521 0.06159099 0.00000000 0.00000000 9 0.00000000 -0.06159099 0.17609521 0.00000000 0.00000000 10 -0.01512742 0.00000000 0.00000000 0.00000000 0.00000000 11 0.00000000 -0.04385085 -0.01533725 0.00000000 0.00000000 12 0.00000000 0.01533725 -0.04385085 0.00000000 0.00000000 13 -0.01182040 0.00000000 0.00000000 0.00000000 0.00000000 14 0.43833912 0.00000000 0.00000000 0.01590385 -0.74885235 15 0.00000000 0.00000000 0.00000000 -0.86470021 -0.01836419 16 0.00000000 -0.81279782 -0.28428383 0.00000000 0.00000000 17 0.43833912 0.00000000 0.00000000 -0.01590385 0.74885235 18 0.00000000 0.28428383 -0.81279782 0.00000000 0.00000000 19 -0.84229908 0.00000000 0.00000000 0.00000000 0.00000000 20 -0.15032562 0.00000000 0.00000000 -0.00772268 0.36363202 21 0.00000000 0.00000000 0.00000000 0.41988608 0.00891739 22 0.00000000 0.38517779 0.13471963 0.00000000 0.00000000 23 -0.15032562 0.00000000 0.00000000 0.00772268 -0.36363202 24 0.00000000 -0.13471963 0.38517779 0.00000000 0.00000000 25 0.43792112 0.00000000 0.00000000 0.00000000 0.00000000 26 0.00000000 -0.06316221 -0.02209159 0.00000000 0.00000000 27 0.00000000 0.00987966 -0.02824700 0.00000000 0.00000000 28 0.00648454 0.00000000 0.00000000 0.00001957 -0.00092145 29 0.00000000 -0.02824700 -0.00987966 0.00000000 0.00000000 30 0.00000000 0.00000000 0.00000000 -0.00106400 -0.00002260 31 0.00000000 -0.03994385 -0.01397075 0.00000000 0.00000000 32 0.00000000 0.02209159 -0.06316221 0.00000000 0.00000000 33 0.00648454 0.00000000 0.00000000 -0.00001957 0.00092145 34 0.00000000 0.01397075 -0.03994385 0.00000000 0.00000000 35 -0.04160587 0.00000000 0.00000000 0.00000000 0.00000000 36 0.23033328 0.00000000 0.00000000 0.00000000 0.00000000 37 -0.04159390 0.00000000 0.00000000 0.00000000 0.00000000 38 -0.31846348 0.00000000 0.00000000 0.00000000 0.00000000 39 -0.00592200 0.00000000 0.00000000 0.00000000 0.00000000 40 0.00000000 -0.05963499 -0.02085791 0.00000000 0.00000000 41 0.00000000 0.02085791 -0.05963499 0.00000000 0.00000000 42 -0.06485882 0.00000000 0.00000000 0.00000000 0.00000000 43 0.00000000 0.17609570 0.06159116 0.00000000 0.00000000 44 0.00000000 -0.06159116 0.17609570 0.00000000 0.00000000 45 0.01512690 0.00000000 0.00000000 0.00000000 0.00000000 46 0.00000000 -0.04385096 -0.01533730 0.00000000 0.00000000 47 0.00000000 0.01533730 -0.04385096 0.00000000 0.00000000 48 0.01182058 0.00000000 0.00000000 0.00000000 0.00000000 49 0.43833895 0.00000000 0.00000000 0.01590360 -0.74884027 50 0.00000000 0.00000000 0.00000000 -0.86468626 -0.01836389 51 0.00000000 0.81279653 0.28428338 0.00000000 0.00000000 52 0.43833895 0.00000000 0.00000000 -0.01590360 0.74884027 53 0.00000000 -0.28428338 0.81279653 0.00000000 0.00000000 54 -0.84229873 0.00000000 0.00000000 0.00000000 0.00000000 55 -0.15032548 0.00000000 0.00000000 -0.00772256 0.36362611 56 0.00000000 0.00000000 0.00000000 0.41987926 0.00891724 57 0.00000000 -0.38517713 -0.13471940 0.00000000 0.00000000 58 -0.15032548 0.00000000 0.00000000 0.00772256 -0.36362611 59 0.00000000 0.13471940 -0.38517713 0.00000000 0.00000000 60 0.43792093 0.00000000 0.00000000 0.00000000 0.00000000 61 0.00000000 -0.06316239 -0.02209165 0.00000000 0.00000000 62 0.00000000 0.00987969 -0.02824708 0.00000000 0.00000000 63 -0.00648447 0.00000000 0.00000000 -0.00001957 0.00092148 64 0.00000000 -0.02824708 -0.00987969 0.00000000 0.00000000 65 0.00000000 0.00000000 0.00000000 0.00106403 0.00002260 66 0.00000000 -0.03994397 -0.01397079 0.00000000 0.00000000 67 0.00000000 0.02209165 -0.06316239 0.00000000 0.00000000 68 -0.00648447 0.00000000 0.00000000 0.00001957 -0.00092148 69 0.00000000 0.01397079 -0.03994397 0.00000000 0.00000000 70 0.04160611 0.00000000 0.00000000 0.00000000 0.00000000 56 57 58 59 60 1 0.00000000 0.00000000 0.00000000 0.00000000 -0.60207241 2 0.00000000 0.00000000 0.00000000 0.00000000 0.32388525 3 0.00000000 0.00000000 0.00000000 0.00000000 -0.04143561 4 0.00000000 0.00000000 0.00000000 0.00000000 0.13345905 5 0.00000000 0.00000000 0.01215826 -0.09794987 0.00000000 6 0.00000000 0.00000000 0.09794987 0.01215826 0.00000000 7 0.00000000 0.00000000 0.00000000 0.00000000 -0.35868748 8 0.00000000 0.00000000 -0.03422939 0.27576014 0.00000000 9 0.00000000 0.00000000 -0.27576014 -0.03422939 0.00000000 10 0.00000000 0.00000000 0.00000000 0.00000000 1.29639028 11 0.00000000 0.00000000 0.00893979 -0.07202108 0.00000000 12 0.00000000 0.00000000 0.07202108 0.00893979 0.00000000 13 0.00000000 0.00000000 0.00000000 0.00000000 -0.43181532 14 0.00115306 0.74981333 0.00000000 0.00000000 -0.43618125 15 0.86580986 -0.00133144 0.00000000 0.00000000 0.00000000 16 0.00000000 0.00000000 -0.10729482 0.86439270 0.00000000 17 -0.00115306 -0.74981333 0.00000000 0.00000000 -0.43618125 18 0.00000000 0.00000000 -0.86439270 -0.10729482 0.00000000 19 0.00000000 0.00000000 0.00000000 0.00000000 0.91177884 20 -0.00056352 -0.36644622 0.00000000 0.00000000 0.34123323 21 -0.42313564 0.00065070 0.00000000 0.00000000 0.00000000 22 0.00000000 0.00000000 0.05443715 -0.43855867 0.00000000 23 0.00056352 0.36644622 0.00000000 0.00000000 0.34123323 24 0.00000000 0.00000000 0.43855867 0.05443715 0.00000000 25 0.00000000 0.00000000 0.00000000 0.00000000 -0.48943136 26 0.00000000 0.00000000 0.01188166 -0.09572147 0.00000000 27 0.00000000 0.00000000 0.04280794 0.00531364 0.00000000 28 -0.00000202 -0.00131209 0.00000000 0.00000000 -0.19062690 29 0.00000000 0.00000000 0.00531364 -0.04280794 0.00000000 30 -0.00151507 0.00000233 0.00000000 0.00000000 0.00000000 31 0.00000000 0.00000000 0.00766196 -0.06172657 0.00000000 32 0.00000000 0.00000000 0.09572147 0.01188166 0.00000000 33 0.00000202 0.00131209 0.00000000 0.00000000 -0.19062690 34 0.00000000 0.00000000 0.06172657 0.00766196 0.00000000 35 0.00000000 0.00000000 0.00000000 0.00000000 -0.59076276 36 0.00000000 0.00000000 0.00000000 0.00000000 0.60207240 37 0.00000000 0.00000000 0.00000000 0.00000000 -0.32388525 38 0.00000000 0.00000000 0.00000000 0.00000000 0.04143556 39 0.00000000 0.00000000 0.00000000 0.00000000 -0.13345903 40 0.00000000 0.00000000 -0.01215825 0.09794977 0.00000000 41 0.00000000 0.00000000 -0.09794977 -0.01215825 0.00000000 42 0.00000000 0.00000000 0.00000000 0.00000000 -0.35868748 43 0.00000000 0.00000000 0.03422935 -0.27575986 0.00000000 44 0.00000000 0.00000000 0.27575986 0.03422935 0.00000000 45 0.00000000 0.00000000 0.00000000 0.00000000 1.29639016 46 0.00000000 0.00000000 -0.00893978 0.07202101 0.00000000 47 0.00000000 0.00000000 -0.07202101 -0.00893978 0.00000000 48 0.00000000 0.00000000 0.00000000 0.00000000 -0.43181531 49 -0.00115308 -0.74982541 0.00000000 0.00000000 0.43618142 50 -0.86582380 0.00133146 0.00000000 0.00000000 0.00000000 51 0.00000000 0.00000000 -0.10729499 0.86439405 0.00000000 52 0.00115308 0.74982541 0.00000000 0.00000000 0.43618142 53 0.00000000 0.00000000 -0.86439405 -0.10729499 0.00000000 54 0.00000000 0.00000000 0.00000000 0.00000000 -0.91177917 55 0.00056353 0.36645208 0.00000000 0.00000000 -0.34123330 56 0.42314241 -0.00065071 0.00000000 0.00000000 0.00000000 57 0.00000000 0.00000000 0.05443723 -0.43855931 0.00000000 58 -0.00056353 -0.36645208 0.00000000 0.00000000 -0.34123330 59 0.00000000 0.00000000 0.43855931 0.05443723 0.00000000 60 0.00000000 0.00000000 0.00000000 0.00000000 0.48943152 61 0.00000000 0.00000000 -0.01188164 0.09572136 0.00000000 62 0.00000000 0.00000000 -0.04280790 -0.00531363 0.00000000 63 -0.00000202 -0.00131207 0.00000000 0.00000000 -0.19062687 64 0.00000000 0.00000000 -0.00531363 0.04280790 0.00000000 65 -0.00151505 0.00000233 0.00000000 0.00000000 0.00000000 66 0.00000000 0.00000000 -0.00766195 0.06172650 0.00000000 67 0.00000000 0.00000000 -0.09572136 -0.01188164 0.00000000 68 0.00000202 0.00131207 0.00000000 0.00000000 -0.19062687 69 0.00000000 0.00000000 -0.06172650 -0.00766195 0.00000000 70 0.00000000 0.00000000 0.00000000 0.00000000 -0.59076268 61 62 63 64 65 1 2.02077313 -10.56744473 -10.09593565 -0.00000000 0.00000000 2 -0.51414638 2.26827478 2.28530704 0.00000000 0.00000000 3 -1.31837058 7.16148956 6.67391527 0.00000000 0.00000000 4 -0.54032563 2.72446583 2.69595797 0.00000000 0.00000000 5 0.00000000 0.00000000 0.00000000 0.06216389 -0.95201322 6 0.00000000 0.00000000 0.00000000 0.95201322 0.06216389 7 -0.99929549 -0.00579841 -0.10256818 0.00000000 0.00000000 8 0.00000000 0.00000000 0.00000000 -0.41425697 6.34416705 9 0.00000000 0.00000000 0.00000000 -6.34416705 -0.41425697 10 6.47264941 0.02460780 0.87103822 0.00000000 0.00000000 11 0.00000000 0.00000000 0.00000000 0.02962828 -0.45374433 12 0.00000000 0.00000000 0.00000000 0.45374433 0.02962828 13 -0.48147072 0.04612014 -0.06645808 0.00000000 0.00000000 14 -0.08503932 0.47510477 0.39489879 0.00000000 0.00000000 15 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 16 0.00000000 0.00000000 0.00000000 0.00081032 -0.01240967 17 -0.08503932 0.47510477 0.39489879 0.00000000 0.00000000 18 0.00000000 0.00000000 0.00000000 0.01240967 0.00081032 19 -0.00234933 0.38682362 0.41789665 0.00000000 0.00000000 20 0.15503098 -0.75490316 -0.65415721 0.00000000 0.00000000 21 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 22 0.00000000 0.00000000 0.00000000 -0.00092592 0.01418011 23 0.15503098 -0.75490316 -0.65415721 0.00000000 0.00000000 24 0.00000000 0.00000000 0.00000000 -0.01418011 -0.00092592 25 0.11664624 -0.65625063 -0.69355268 0.00000000 0.00000000 26 0.00000000 0.00000000 0.00000000 0.23304545 -3.56899063 27 0.00000000 0.00000000 0.00000000 1.59610113 0.10422109 28 -1.60486804 -0.02084959 -0.22308286 0.00000000 0.00000000 29 0.00000000 0.00000000 0.00000000 0.10422109 -1.59610113 30 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 31 0.00000000 0.00000000 0.00000000 0.10377646 -1.58929175 32 0.00000000 0.00000000 0.00000000 3.56899063 0.23304545 33 -1.60486804 -0.02084959 -0.22308286 0.00000000 0.00000000 34 0.00000000 0.00000000 0.00000000 1.58929175 0.10377646 35 -3.60868207 -0.00692458 -0.51836755 0.00000000 0.00000000 36 2.02074775 10.00024270 -10.65805118 0.00000000 0.00000000 37 -0.51414097 -2.14006833 2.40578720 0.00000000 0.00000000 38 -1.31835342 -6.78627821 7.05510814 0.00000000 0.00000000 39 -0.54031897 -2.57314901 2.84074197 0.00000000 0.00000000 40 0.00000000 0.00000000 0.00000000 0.06216344 -0.95200629 41 0.00000000 0.00000000 0.00000000 0.95200629 0.06216344 42 0.99929444 -0.00018508 0.10273154 0.00000000 0.00000000 43 0.00000000 0.00000000 0.00000000 -0.41425405 6.34412232 44 0.00000000 0.00000000 0.00000000 -6.34412232 -0.41425405 45 -6.47264320 -0.02302046 -0.87108058 0.00000000 0.00000000 46 0.00000000 0.00000000 0.00000000 0.02962805 -0.45374082 47 0.00000000 0.00000000 0.00000000 0.45374082 0.02962805 48 0.48147001 0.04968238 0.06383970 0.00000000 0.00000000 49 -0.08503816 -0.45282669 0.42025918 0.00000000 0.00000000 50 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 51 0.00000000 0.00000000 0.00000000 -0.00081033 0.01240982 52 -0.08503816 -0.45282669 0.42025918 0.00000000 0.00000000 53 0.00000000 0.00000000 0.00000000 -0.01240982 -0.00081033 54 -0.00234838 -0.36342098 0.43840087 0.00000000 0.00000000 55 0.15502916 0.71804707 -0.69441297 0.00000000 0.00000000 56 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 57 0.00000000 0.00000000 0.00000000 0.00092593 -0.01418026 58 0.15502916 0.71804707 -0.69441297 0.00000000 0.00000000 59 0.00000000 0.00000000 0.00000000 0.01418026 0.00092593 60 0.11664470 0.61738996 -0.72836131 0.00000000 0.00000000 61 0.00000000 0.00000000 0.00000000 0.23304382 -3.56896573 62 0.00000000 0.00000000 0.00000000 1.59609000 0.10422037 63 1.60486656 -0.00862986 0.22388828 0.00000000 0.00000000 64 0.00000000 0.00000000 0.00000000 0.10422037 -1.59609000 65 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 66 0.00000000 0.00000000 0.00000000 0.10377573 -1.58928055 67 0.00000000 0.00000000 0.00000000 3.56896573 0.23304382 68 1.60486656 -0.00862986 0.22388828 0.00000000 0.00000000 69 0.00000000 0.00000000 0.00000000 1.58928055 0.10377573 70 3.60867866 0.02140756 0.51797117 0.00000000 0.00000000 66 67 68 69 70 1 0.00000000 0.00000000 -0.26907336 -54.11128073 -54.87999260 2 0.00000000 0.00000000 0.10770749 26.23345473 26.48527346 3 0.00000000 0.00000000 0.24907962 31.87293310 32.60742908 4 0.00000000 0.00000000 -0.07489150 15.27360090 15.28231329 5 0.00284657 1.01786643 0.00000000 0.00000000 0.00000000 6 -1.01786643 0.00284657 0.00000000 0.00000000 0.00000000 7 0.00000000 0.00000000 -1.21832525 0.07068787 0.00781099 8 -0.01840855 -6.58245339 0.00000000 0.00000000 0.00000000 9 6.58245339 -0.01840855 0.00000000 0.00000000 0.00000000 10 0.00000000 0.00000000 7.28089031 -0.22258312 -0.06191829 11 0.00144308 0.51600936 0.00000000 0.00000000 0.00000000 12 -0.51600936 0.00144308 0.00000000 0.00000000 0.00000000 13 0.00000000 0.00000000 -0.69719133 0.00611832 0.06565784 14 0.00000000 0.00000000 -0.01764952 -3.50207066 -3.53407542 15 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 16 -0.00006218 -0.02223430 0.00000000 0.00000000 0.00000000 17 0.00000000 0.00000000 -0.01764952 -3.50207066 -3.53407542 18 0.02223430 -0.00006218 0.00000000 0.00000000 0.00000000 19 0.00000000 0.00000000 -0.00994990 -3.50220280 -3.56401522 20 0.00000000 0.00000000 -0.01808010 -3.26564207 -3.39044668 21 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 22 0.00006368 0.02277188 0.00000000 0.00000000 0.00000000 23 0.00000000 0.00000000 -0.01808010 -3.26564207 -3.39044668 24 -0.02277188 0.00006368 0.00000000 0.00000000 0.00000000 25 0.00000000 0.00000000 -0.06196759 -3.31146000 -3.29586697 26 0.01025017 3.66521439 0.00000000 0.00000000 0.00000000 27 -1.63913370 0.00458402 0.00000000 0.00000000 0.00000000 28 0.00000000 0.00000000 -1.78076229 0.03976775 0.00870867 29 0.00458402 1.63913370 0.00000000 0.00000000 0.00000000 30 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 31 0.00461079 1.64870750 0.00000000 0.00000000 0.00000000 32 -3.66521439 0.01025017 0.00000000 0.00000000 0.00000000 33 0.00000000 0.00000000 -1.78076229 0.03976775 0.00870867 34 -1.64870750 0.00461079 0.00000000 0.00000000 0.00000000 35 0.00000000 0.00000000 -3.98178991 0.08350197 0.04213774 36 0.00000000 0.00000000 0.26907311 -54.11126419 54.88000889 37 0.00000000 0.00000000 -0.10770739 26.23344675 -26.48528136 38 0.00000000 0.00000000 -0.24907947 31.87292327 -32.60743867 39 0.00000000 0.00000000 0.07489156 15.27359629 -15.28231789 40 -0.00284659 -1.01787288 0.00000000 0.00000000 0.00000000 41 1.01787288 -0.00284659 0.00000000 0.00000000 0.00000000 42 0.00000000 0.00000000 -1.21832607 -0.07068787 0.00781102 43 0.01840867 6.58249649 0.00000000 0.00000000 0.00000000 44 -6.58249649 0.01840867 0.00000000 0.00000000 0.00000000 45 0.00000000 0.00000000 7.28089575 0.22258311 -0.06191836 46 -0.00144308 -0.51601244 0.00000000 0.00000000 0.00000000 47 0.51601244 -0.00144308 0.00000000 0.00000000 0.00000000 48 0.00000000 0.00000000 -0.69719173 -0.00611830 0.06565784 49 0.00000000 0.00000000 0.01764953 -3.50206960 3.53407648 50 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 51 -0.00006218 -0.02223422 0.00000000 0.00000000 0.00000000 52 0.00000000 0.00000000 0.01764953 -3.50206960 3.53407648 53 0.02223422 -0.00006218 0.00000000 0.00000000 0.00000000 54 0.00000000 0.00000000 0.00994985 -3.50220173 3.56401627 55 0.00000000 0.00000000 0.01808006 -3.26564105 3.39044766 56 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 57 0.00006368 0.02277179 0.00000000 0.00000000 0.00000000 58 0.00000000 0.00000000 0.01808006 -3.26564105 3.39044766 59 -0.02277179 0.00006368 0.00000000 0.00000000 0.00000000 60 0.00000000 0.00000000 0.06196759 -3.31145900 3.29586796 61 -0.01025024 -3.66523864 0.00000000 0.00000000 0.00000000 62 1.63914455 -0.00458405 0.00000000 0.00000000 0.00000000 63 0.00000000 0.00000000 -1.78076365 -0.03976775 0.00870868 64 -0.00458405 -1.63914455 0.00000000 0.00000000 0.00000000 65 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 66 -0.00461082 -1.64871830 0.00000000 0.00000000 0.00000000 67 3.66523864 -0.01025024 0.00000000 0.00000000 0.00000000 68 0.00000000 0.00000000 -1.78076365 -0.03976775 0.00870868 69 1.64871830 -0.00461082 0.00000000 0.00000000 0.00000000 70 0.00000000 0.00000000 -3.98179296 -0.08350196 0.04213776 ----------------------------------------- UHF spin-down orbital coefficients ----------------------------------------- 1 2 3 4 5 1 0.49805193 -0.54985448 -0.04498508 -0.06602308 0.00000000 2 0.00535850 -0.02769105 -0.25460681 0.27407457 0.00000000 3 -0.48533439 0.65161354 2.17097308 -2.18021492 0.00000000 4 0.48316048 -0.88875478 -1.18278625 1.68156686 0.00000000 5 0.00000000 0.00000000 0.00000000 0.00000000 -0.52458862 6 0.00000000 0.00000000 0.00000000 0.00000000 -0.16596924 7 -0.00375894 -0.00710897 0.09695897 0.02689763 0.00000000 8 0.00000000 0.00000000 0.00000000 0.00000000 1.91106644 9 0.00000000 0.00000000 0.00000000 0.00000000 0.60462279 10 0.01608117 0.03000730 -0.35189997 -0.10262063 0.00000000 11 0.00000000 0.00000000 0.00000000 0.00000000 -1.00105822 12 0.00000000 0.00000000 0.00000000 0.00000000 -0.31671459 13 -0.00831916 -0.01652100 0.22653687 0.07325129 0.00000000 14 0.00575965 -0.00704217 -0.01926977 0.01766380 0.00000000 15 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 16 0.00000000 0.00000000 0.00000000 0.00000000 0.00231839 17 0.00575965 -0.00704217 -0.01926977 0.01766380 0.00000000 18 0.00000000 0.00000000 0.00000000 0.00000000 0.00073349 19 0.00556646 -0.00643619 -0.01840226 0.01563054 0.00000000 20 0.04737079 -0.06504192 -0.23499078 0.22782515 0.00000000 21 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 22 0.00000000 0.00000000 0.00000000 0.00000000 -0.01281194 23 0.04737079 -0.06504192 -0.23499078 0.22782515 0.00000000 24 0.00000000 0.00000000 0.00000000 0.00000000 -0.00405344 25 0.04788272 -0.06771556 -0.23016510 0.24100802 0.00000000 26 0.00000000 0.00000000 0.00000000 0.00000000 -0.76605088 27 0.00000000 0.00000000 0.00000000 0.00000000 -0.10838804 28 -0.00298406 -0.00520900 0.06464956 0.01830332 0.00000000 29 0.00000000 0.00000000 0.00000000 0.00000000 -0.34258837 30 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 31 0.00000000 0.00000000 0.00000000 0.00000000 -0.34339977 32 0.00000000 0.00000000 0.00000000 0.00000000 -0.24236301 33 -0.00298406 -0.00520900 0.06464956 0.01830332 0.00000000 34 0.00000000 0.00000000 0.00000000 0.00000000 -0.10864475 35 -0.00595725 -0.01117453 0.14128944 0.04002545 0.00000000 36 0.49805141 0.54985474 -0.04498528 0.06602285 0.00000000 37 0.00535850 0.02769108 -0.25460612 -0.27407535 0.00000000 38 -0.48533419 -0.65161429 2.17096728 2.18022109 0.00000000 39 0.48316016 0.88875546 -1.18278147 -1.68156998 0.00000000 40 0.00000000 0.00000000 0.00000000 0.00000000 -0.52458851 41 0.00000000 0.00000000 0.00000000 0.00000000 -0.16596920 42 0.00375895 -0.00710895 -0.09695904 0.02689730 0.00000000 43 0.00000000 0.00000000 0.00000000 0.00000000 1.91106607 44 0.00000000 0.00000000 0.00000000 0.00000000 0.60462268 45 -0.01608120 0.03000722 0.35190024 -0.10261943 0.00000000 46 0.00000000 0.00000000 0.00000000 0.00000000 -1.00105796 47 0.00000000 0.00000000 0.00000000 0.00000000 -0.31671450 48 0.00831918 -0.01652096 -0.22653703 0.07325056 0.00000000 49 0.00575965 0.00704217 -0.01926973 -0.01766385 0.00000000 50 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 51 0.00000000 0.00000000 0.00000000 0.00000000 -0.00231839 52 0.00575965 0.00704217 -0.01926973 -0.01766385 0.00000000 53 0.00000000 0.00000000 0.00000000 0.00000000 -0.00073349 54 0.00556646 0.00643620 -0.01840221 -0.01563059 0.00000000 55 0.04737077 0.06504199 -0.23499018 -0.22782582 0.00000000 56 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 57 0.00000000 0.00000000 0.00000000 0.00000000 0.01281194 58 0.04737077 0.06504199 -0.23499018 -0.22782582 0.00000000 59 0.00000000 0.00000000 0.00000000 0.00000000 0.00405344 60 0.04788270 0.06771564 -0.23016446 -0.24100868 0.00000000 61 0.00000000 0.00000000 0.00000000 0.00000000 -0.76605073 62 0.00000000 0.00000000 0.00000000 0.00000000 -0.10838801 63 0.00298407 -0.00520898 -0.06464960 0.01830310 0.00000000 64 0.00000000 0.00000000 0.00000000 0.00000000 -0.34258830 65 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 66 0.00000000 0.00000000 0.00000000 0.00000000 -0.34339970 67 0.00000000 0.00000000 0.00000000 0.00000000 -0.24236297 68 0.00298407 -0.00520898 -0.06464960 0.01830310 0.00000000 69 0.00000000 0.00000000 0.00000000 0.00000000 -0.10864472 70 0.00595727 -0.01117449 -0.14128954 0.04002497 0.00000000 6 7 8 9 10 1 0.00000000 -0.08515348 0.00000000 0.00000000 0.23976249 2 0.00000000 0.08595292 0.00000000 0.00000000 0.05533618 3 0.00000000 -0.55235719 0.00000000 0.00000000 -0.62729334 4 0.00000000 0.25354693 0.00000000 0.00000000 0.71942728 5 0.16596924 0.00000000 -0.15748085 0.54087922 0.00000000 6 -0.52458862 0.00000000 -0.54087922 -0.15748085 0.00000000 7 0.00000000 0.43910558 0.00000000 0.00000000 0.65594558 8 -0.60462279 0.00000000 0.57358638 -1.97002329 0.00000000 9 1.91106644 0.00000000 1.97002329 0.57358638 0.00000000 10 0.00000000 -1.58912699 0.00000000 0.00000000 -2.40483283 11 0.31671459 0.00000000 -0.31856233 1.09412504 0.00000000 12 -1.00105822 0.00000000 -1.09412504 -0.31856233 0.00000000 13 0.00000000 0.88923109 0.00000000 0.00000000 1.51297165 14 0.00000000 0.00112937 0.00000000 0.00000000 0.00466307 15 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 16 -0.00073349 0.00000000 -0.00084279 0.00289462 0.00000000 17 0.00000000 0.00112937 0.00000000 0.00000000 0.00466307 18 0.00231839 0.00000000 -0.00289462 -0.00084279 0.00000000 19 0.00000000 0.00821181 0.00000000 0.00000000 0.00837110 20 0.00000000 0.07065135 0.00000000 0.00000000 0.07134120 21 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 22 0.00405344 0.00000000 0.00451363 -0.01550238 0.00000000 23 0.00000000 0.07065135 0.00000000 0.00000000 0.07134120 24 -0.01281194 0.00000000 0.01550238 0.00451363 0.00000000 25 0.00000000 0.04830461 0.00000000 0.00000000 0.03121000 26 0.24236301 0.00000000 -0.22924868 0.78737092 0.00000000 27 -0.34258837 0.00000000 -0.35212298 -0.10252312 0.00000000 28 0.00000000 0.28881891 0.00000000 0.00000000 0.41970804 29 0.10838804 0.00000000 -0.10252312 0.35212298 0.00000000 30 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 31 0.10864475 0.00000000 -0.10222511 0.35109944 0.00000000 32 -0.76605088 0.00000000 -0.78737092 -0.22924868 0.00000000 33 0.00000000 0.28881891 0.00000000 0.00000000 0.41970804 34 -0.34339977 0.00000000 -0.35109944 -0.10222511 0.00000000 35 0.00000000 0.63929623 0.00000000 0.00000000 0.94477699 36 0.00000000 -0.08515345 0.00000000 0.00000000 -0.23976245 37 0.00000000 0.08595299 0.00000000 0.00000000 -0.05533616 38 0.00000000 -0.55235758 0.00000000 0.00000000 0.62729319 39 0.00000000 0.25354709 0.00000000 0.00000000 -0.71942724 40 0.16596920 0.00000000 0.15748091 -0.54087941 0.00000000 41 -0.52458851 0.00000000 0.54087941 0.15748091 0.00000000 42 0.00000000 -0.43910558 0.00000000 0.00000000 0.65594567 43 -0.60462268 0.00000000 -0.57358659 1.97002402 0.00000000 44 1.91106607 0.00000000 -1.97002402 -0.57358659 0.00000000 45 0.00000000 1.58912701 0.00000000 0.00000000 -2.40483317 46 0.31671450 0.00000000 0.31856243 -1.09412535 0.00000000 47 -1.00105796 0.00000000 1.09412535 0.31856243 0.00000000 48 0.00000000 -0.88923103 0.00000000 0.00000000 1.51297177 49 0.00000000 0.00112938 0.00000000 0.00000000 -0.00466306 50 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 51 0.00073349 0.00000000 -0.00084279 0.00289462 0.00000000 52 0.00000000 0.00112938 0.00000000 0.00000000 -0.00466306 53 -0.00231839 0.00000000 -0.00289462 -0.00084279 0.00000000 54 0.00000000 0.00821181 0.00000000 0.00000000 -0.00837110 55 0.00000000 0.07065139 0.00000000 0.00000000 -0.07134119 56 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 57 -0.00405344 0.00000000 0.00451363 -0.01550238 0.00000000 58 0.00000000 0.07065139 0.00000000 0.00000000 -0.07134119 59 0.01281194 0.00000000 0.01550238 0.00451363 0.00000000 60 0.00000000 0.04830465 0.00000000 0.00000000 -0.03120998 61 0.24236297 0.00000000 0.22924876 -0.78737120 0.00000000 62 -0.34258830 0.00000000 0.35212311 0.10252316 0.00000000 63 0.00000000 -0.28881891 0.00000000 0.00000000 0.41970810 64 0.10838801 0.00000000 0.10252316 -0.35212311 0.00000000 65 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 66 0.10864472 0.00000000 0.10222515 -0.35109957 0.00000000 67 -0.76605073 0.00000000 0.78737120 0.22924876 0.00000000 68 0.00000000 -0.28881891 0.00000000 0.00000000 0.41970810 69 -0.34339970 0.00000000 0.35109957 0.10222515 0.00000000 70 0.00000000 -0.63929623 0.00000000 0.00000000 0.94477712 11 12 13 14 15 1 -2.05320886 2.08168479 0.00000000 0.00000000 0.00000000 2 -0.86107737 1.00487022 0.00000000 0.00000000 0.00000000 3 4.46018917 -4.95379233 0.00000000 0.00000000 0.00000000 4 -0.28923823 0.56866366 0.00000000 0.00000000 0.00000000 5 0.00000000 0.00000000 0.21215519 -1.48448754 -0.03202503 6 0.00000000 0.00000000 1.48448754 0.21215519 -1.59835037 7 -0.16633765 -0.17840743 0.00000000 0.00000000 0.00000000 8 0.00000000 0.00000000 -0.80106023 5.60516072 0.12099446 9 0.00000000 0.00000000 -5.60516072 -0.80106023 6.03876206 10 0.61019175 0.66495709 0.00000000 0.00000000 0.00000000 11 0.00000000 0.00000000 0.13917957 -0.97386415 -0.02336631 12 0.00000000 0.00000000 0.97386415 0.13917957 -1.16619877 13 -0.18684825 -0.26465949 0.00000000 0.00000000 0.00000000 14 -0.03888007 0.04643113 0.00000000 0.00000000 0.00000000 15 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 16 0.00000000 0.00000000 -0.00423245 0.02961518 -0.00052710 17 -0.03888007 0.04643113 0.00000000 0.00000000 0.00000000 18 0.00000000 0.00000000 -0.02961518 -0.00423245 -0.02630737 19 -0.04862724 0.03586995 0.00000000 0.00000000 0.00000000 20 -0.68589064 0.71812149 0.00000000 0.00000000 0.00000000 21 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 22 0.00000000 0.00000000 0.02789124 -0.19515995 0.00365891 23 -0.68589064 0.71812149 0.00000000 0.00000000 0.00000000 24 0.00000000 0.00000000 0.19515995 0.02789124 0.18261429 25 -0.61873933 0.80321371 0.00000000 0.00000000 0.00000000 26 0.00000000 0.00000000 0.31343771 -2.19317934 -0.04723158 27 0.00000000 0.00000000 0.98081962 0.14017361 -1.05421670 28 -0.10960083 -0.11358423 0.00000000 0.00000000 0.00000000 29 0.00000000 0.00000000 0.14017361 -0.98081962 -0.02112260 30 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 31 0.00000000 0.00000000 0.14072183 -0.98465567 -0.02107640 32 0.00000000 0.00000000 2.19317934 0.31343771 -2.35730020 33 -0.10960083 -0.11358423 0.00000000 0.00000000 0.00000000 34 0.00000000 0.00000000 0.98465567 0.14072183 -1.05191062 35 -0.24443784 -0.25748911 0.00000000 0.00000000 0.00000000 36 -2.05320607 -2.08168760 0.00000000 0.00000000 0.00000000 37 -0.86107598 -1.00487137 0.00000000 0.00000000 0.00000000 38 4.46018241 4.95379836 0.00000000 0.00000000 0.00000000 39 -0.28923738 -0.56866400 0.00000000 0.00000000 0.00000000 40 0.00000000 0.00000000 0.21215482 -1.48448492 0.03202508 41 0.00000000 0.00000000 1.48448492 0.21215482 1.59835273 42 0.16633790 -0.17840717 0.00000000 0.00000000 0.00000000 43 0.00000000 0.00000000 -0.80105881 5.60515076 -0.12099463 44 0.00000000 0.00000000 -5.60515076 -0.80105881 -6.03877091 45 -0.61019267 0.66495613 0.00000000 0.00000000 0.00000000 46 0.00000000 0.00000000 0.13917928 -0.97386218 0.02336634 47 0.00000000 0.00000000 0.97386218 0.13917928 1.16620024 48 0.18684864 -0.26465921 0.00000000 0.00000000 0.00000000 49 -0.03888001 -0.04643118 0.00000000 0.00000000 0.00000000 50 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 51 0.00000000 0.00000000 0.00423245 -0.02961522 -0.00052710 52 -0.03888001 -0.04643118 0.00000000 0.00000000 0.00000000 53 0.00000000 0.00000000 0.02961522 0.00423245 -0.02630728 54 -0.04862719 -0.03587002 0.00000000 0.00000000 0.00000000 55 -0.68588970 -0.71812247 0.00000000 0.00000000 0.00000000 56 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 57 0.00000000 0.00000000 -0.02789127 0.19516019 0.00365890 58 -0.68588970 -0.71812247 0.00000000 0.00000000 0.00000000 59 0.00000000 0.00000000 -0.19516019 -0.02789127 0.18261367 60 -0.61873829 -0.80321456 0.00000000 0.00000000 0.00000000 61 0.00000000 0.00000000 0.31343716 -2.19317548 0.04723165 62 0.00000000 0.00000000 0.98081789 0.14017336 1.05421826 63 0.10960099 -0.11358406 0.00000000 0.00000000 0.00000000 64 0.00000000 0.00000000 0.14017336 -0.98081789 0.02112263 65 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 66 0.00000000 0.00000000 0.14072159 -0.98465394 0.02107643 67 0.00000000 0.00000000 2.19317548 0.31343716 2.35730369 68 0.10960099 -0.11358406 0.00000000 0.00000000 0.00000000 69 0.00000000 0.00000000 0.98465394 0.14072159 1.05191219 70 0.24443819 -0.25748873 0.00000000 0.00000000 0.00000000 16 17 18 19 20 1 0.00000000 -0.40991368 0.20429234 -0.16286199 0.00000000 2 0.00000000 -0.07495369 0.07962010 -0.08890100 0.00000000 3 0.00000000 0.71172476 -0.42022626 0.61286485 0.00000000 4 0.00000000 -0.05920857 0.38106018 -0.09412745 0.00000000 5 -1.59835037 0.00000000 0.00000000 0.00000000 -0.39809164 6 0.03202503 0.00000000 0.00000000 0.00000000 0.27505439 7 0.00000000 1.20991989 1.57464201 -1.23187450 0.00000000 8 6.03876206 0.00000000 0.00000000 0.00000000 1.51029081 9 -0.12099446 0.00000000 0.00000000 0.00000000 -1.04350876 10 0.00000000 -4.50443979 -5.99997315 4.69153200 0.00000000 11 -1.16619877 0.00000000 0.00000000 0.00000000 -0.31106957 12 0.02336631 0.00000000 0.00000000 0.00000000 0.21492803 13 0.00000000 0.81275011 1.42408804 -0.81736152 0.00000000 14 0.00000000 -0.06036955 -0.00602819 -0.03443609 0.00000000 15 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 16 -0.02630737 0.00000000 0.00000000 0.00000000 -0.08696843 17 0.00000000 -0.06036955 -0.00602819 -0.03443609 0.00000000 18 0.00052710 0.00000000 0.00000000 0.00000000 0.06008930 19 0.00000000 0.08624099 0.02180937 0.05018394 0.00000000 20 0.00000000 0.21975218 0.10451036 0.11207033 0.00000000 21 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 22 0.18261429 0.00000000 0.00000000 0.00000000 0.60214246 23 0.00000000 0.21975218 0.10451036 0.11207033 0.00000000 24 -0.00365892 0.00000000 0.00000000 0.00000000 -0.41603969 25 0.00000000 -0.71165282 -0.15199115 -0.52143957 0.00000000 26 -2.35730020 0.00000000 0.00000000 0.00000000 -0.58766750 27 0.02112260 0.00000000 0.00000000 0.00000000 0.18158593 28 0.00000000 0.81697342 1.02162680 -0.81216206 0.00000000 29 -1.05421670 0.00000000 0.00000000 0.00000000 -0.26281290 30 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 31 -1.05191062 0.00000000 0.00000000 0.00000000 -0.25861597 32 0.04723158 0.00000000 0.00000000 0.00000000 0.40603848 33 0.00000000 0.81697342 1.02162680 -0.81216206 0.00000000 34 0.02107640 0.00000000 0.00000000 0.00000000 0.17868614 35 0.00000000 1.79368798 2.30199463 -1.81410136 0.00000000 36 0.00000000 -0.40991466 -0.20429057 -0.16286211 0.00000000 37 0.00000000 -0.07495409 -0.07961975 -0.08890107 0.00000000 38 0.00000000 0.71172682 0.42022309 0.61286514 0.00000000 39 0.00000000 -0.05921017 -0.38105990 -0.09412765 0.00000000 40 1.59835273 0.00000000 0.00000000 0.00000000 -0.39809234 41 -0.03202508 0.00000000 0.00000000 0.00000000 0.27505487 42 0.00000000 -1.20991345 1.57464640 1.23187537 0.00000000 43 -6.03877091 0.00000000 0.00000000 0.00000000 1.51029348 44 0.12099463 0.00000000 0.00000000 0.00000000 -1.04351060 45 0.00000000 4.50441521 -5.99998938 -4.69153529 0.00000000 46 1.16620024 0.00000000 0.00000000 0.00000000 -0.31107010 47 -0.02336634 0.00000000 0.00000000 0.00000000 0.21492839 48 0.00000000 -0.81274427 1.42409094 0.81736221 0.00000000 49 0.00000000 -0.06036953 0.00602846 -0.03443609 0.00000000 50 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 51 -0.02630728 0.00000000 0.00000000 0.00000000 0.08696841 52 0.00000000 -0.06036953 0.00602846 -0.03443609 0.00000000 53 0.00052710 0.00000000 0.00000000 0.00000000 -0.06008929 54 0.00000000 0.08624089 -0.02180977 0.05018393 0.00000000 55 0.00000000 0.21975167 -0.10451137 0.11207023 0.00000000 56 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 57 0.18261367 0.00000000 0.00000000 0.00000000 -0.60214227 58 0.00000000 0.21975167 -0.10451137 0.11207023 0.00000000 59 -0.00365890 0.00000000 0.00000000 0.00000000 0.41603957 60 0.00000000 -0.71165219 0.15199437 -0.52143942 0.00000000 61 2.35730369 0.00000000 0.00000000 0.00000000 -0.58766854 62 -0.02112263 0.00000000 0.00000000 0.00000000 0.18158625 63 0.00000000 -0.81696924 1.02162977 0.81216262 0.00000000 64 1.05421826 0.00000000 0.00000000 0.00000000 -0.26281336 65 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 66 1.05191219 0.00000000 0.00000000 0.00000000 -0.25861644 67 -0.04723165 0.00000000 0.00000000 0.00000000 0.40603920 68 0.00000000 -0.81696924 1.02162977 0.81216262 0.00000000 69 -0.02107643 0.00000000 0.00000000 0.00000000 0.17868646 70 0.00000000 -1.79367856 2.30200115 1.81410264 0.00000000 21 22 23 24 25 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 -0.27505439 0.00000000 0.00000000 0.00000000 0.00000000 6 -0.39809164 0.00000000 0.00000000 0.00000000 0.00000000 7 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 8 1.04350876 0.00000000 0.00000000 0.00000000 0.00000000 9 1.51029081 0.00000000 0.00000000 0.00000000 0.00000000 10 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 11 -0.21492803 0.00000000 0.00000000 0.00000000 0.00000000 12 -0.31106957 0.00000000 0.00000000 0.00000000 0.00000000 13 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 14 0.00000000 -0.09254856 -0.00037078 -0.09167287 0.00007580 15 0.00000000 0.00042814 -0.10686588 0.00008752 0.10585471 16 -0.06008930 0.00000000 0.00000000 0.00000000 0.00000000 17 0.00000000 0.09254856 0.00037078 0.09167287 -0.00007580 18 -0.08696843 0.00000000 0.00000000 0.00000000 0.00000000 19 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 20 0.00000000 0.66116673 0.00264887 0.66212204 -0.00054746 21 0.00000000 -0.00305865 0.76344958 -0.00063216 -0.76455268 22 0.41603969 0.00000000 0.00000000 0.00000000 0.00000000 23 0.00000000 -0.66116673 -0.00264887 -0.66212204 0.00054746 24 0.60214246 0.00000000 0.00000000 0.00000000 0.00000000 25 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 26 -0.40603848 0.00000000 0.00000000 0.00000000 0.00000000 27 -0.26281290 0.00000000 0.00000000 0.00000000 0.00000000 28 0.00000000 0.00078869 0.00000316 -0.00023684 0.00000020 29 -0.18158593 0.00000000 0.00000000 0.00000000 0.00000000 30 0.00000000 -0.00000365 0.00091070 0.00000023 0.00027348 31 -0.17868614 0.00000000 0.00000000 0.00000000 0.00000000 32 -0.58766750 0.00000000 0.00000000 0.00000000 0.00000000 33 0.00000000 -0.00078869 -0.00000316 0.00023684 -0.00000020 34 -0.25861597 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 -0.27505487 0.00000000 0.00000000 0.00000000 0.00000000 41 -0.39809234 0.00000000 0.00000000 0.00000000 0.00000000 42 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 43 1.04351060 0.00000000 0.00000000 0.00000000 0.00000000 44 1.51029348 0.00000000 0.00000000 0.00000000 0.00000000 45 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 46 -0.21492839 0.00000000 0.00000000 0.00000000 0.00000000 47 -0.31107010 0.00000000 0.00000000 0.00000000 0.00000000 48 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 49 0.00000000 -0.09254813 -0.00037078 0.09167332 -0.00007580 50 0.00000000 0.00042814 -0.10686537 -0.00008752 -0.10585523 51 0.06008929 0.00000000 0.00000000 0.00000000 0.00000000 52 0.00000000 0.09254813 0.00037078 -0.09167332 0.00007580 53 0.08696841 0.00000000 0.00000000 0.00000000 0.00000000 54 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 55 0.00000000 0.66116357 0.00264885 -0.66212521 0.00054747 56 0.00000000 -0.00305863 0.76344593 0.00063216 0.76455633 57 -0.41603957 0.00000000 0.00000000 0.00000000 0.00000000 58 0.00000000 -0.66116357 -0.00264885 0.66212521 -0.00054747 59 -0.60214227 0.00000000 0.00000000 0.00000000 0.00000000 60 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 61 -0.40603920 0.00000000 0.00000000 0.00000000 0.00000000 62 -0.26281336 0.00000000 0.00000000 0.00000000 0.00000000 63 0.00000000 -0.00078869 -0.00000316 -0.00023684 0.00000020 64 -0.18158625 0.00000000 0.00000000 0.00000000 0.00000000 65 0.00000000 0.00000365 -0.00091070 0.00000023 0.00027348 66 -0.17868646 0.00000000 0.00000000 0.00000000 0.00000000 67 -0.58766854 0.00000000 0.00000000 0.00000000 0.00000000 68 0.00000000 0.00078869 0.00000316 0.00023684 -0.00000020 69 -0.25861644 0.00000000 0.00000000 0.00000000 0.00000000 70 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 26 27 28 29 30 1 0.00000000 0.00000000 0.04061852 -1.20693147 1.31040840 2 0.00000000 0.00000000 0.30419775 0.01301802 -0.24247442 3 0.00000000 0.00000000 -0.21636039 4.54358758 -4.20762995 4 0.00000000 0.00000000 -0.29028008 -0.47044039 0.26452751 5 0.02955961 0.46589768 0.00000000 0.00000000 0.00000000 6 0.46589768 -0.02955961 0.00000000 0.00000000 0.00000000 7 0.00000000 0.00000000 -0.91819440 0.10193213 -0.09788858 8 -0.11310215 -1.78263635 0.00000000 0.00000000 0.00000000 9 -1.78263635 0.11310215 0.00000000 0.00000000 0.00000000 10 0.00000000 0.00000000 3.50245832 -0.37588152 0.38115619 11 0.02676886 0.42191193 0.00000000 0.00000000 0.00000000 12 0.42191193 -0.02676886 0.00000000 0.00000000 0.00000000 13 0.00000000 0.00000000 -1.19816216 0.21462864 -0.03725248 14 0.00000000 0.00000000 -0.05251428 -0.07259511 0.09567746 15 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 16 -0.00619593 -0.09765594 0.00000000 0.00000000 0.00000000 17 0.00000000 0.00000000 -0.05251428 -0.07259511 0.09567746 18 -0.09765594 0.00619593 0.00000000 0.00000000 0.00000000 19 0.00000000 0.00000000 0.07545200 -0.10062866 0.07985908 20 0.00000000 0.00000000 0.35297395 -1.47229344 1.30252716 21 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 22 0.04751290 0.74886482 0.00000000 0.00000000 0.00000000 23 0.00000000 0.00000000 0.35297395 -1.47229344 1.30252716 24 0.74886482 -0.04751290 0.00000000 0.00000000 0.00000000 25 0.00000000 0.00000000 -0.84920783 -1.16856157 1.38132796 26 0.04340284 0.68408494 0.00000000 0.00000000 0.00000000 27 0.30593209 -0.01941034 0.00000000 0.00000000 0.00000000 28 0.00000000 0.00000000 -0.61026023 0.06926437 -0.06927295 29 0.01941034 0.30593209 0.00000000 0.00000000 0.00000000 30 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 31 0.01890055 0.29789711 0.00000000 0.00000000 0.00000000 32 0.68408494 -0.04340284 0.00000000 0.00000000 0.00000000 33 0.00000000 0.00000000 -0.61026023 0.06926437 -0.06927295 34 0.29789711 -0.01890055 0.00000000 0.00000000 0.00000000 35 0.00000000 0.00000000 -1.30893040 0.13291322 -0.14645045 36 0.00000000 0.00000000 -0.04061857 1.20689011 1.31044665 37 0.00000000 0.00000000 -0.30419776 -0.01301045 -0.24247494 38 0.00000000 0.00000000 0.21636061 -4.54345446 -4.20777354 39 0.00000000 0.00000000 0.29028006 0.47043198 0.26454234 40 -0.02955960 -0.46589765 0.00000000 0.00000000 0.00000000 41 -0.46589765 0.02955960 0.00000000 0.00000000 0.00000000 42 0.00000000 0.00000000 -0.91819447 0.10192899 0.09789177 43 0.11310214 1.78263621 0.00000000 0.00000000 0.00000000 44 1.78263621 -0.11310214 0.00000000 0.00000000 0.00000000 45 0.00000000 0.00000000 3.50245856 -0.37586933 -0.38116799 46 -0.02676886 -0.42191187 0.00000000 0.00000000 0.00000000 47 -0.42191187 0.02676886 0.00000000 0.00000000 0.00000000 48 0.00000000 0.00000000 -1.19816220 0.21462745 0.03725922 49 0.00000000 0.00000000 0.05251428 0.07259207 0.09567975 50 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 51 -0.00619594 -0.09765599 0.00000000 0.00000000 0.00000000 52 0.00000000 0.00000000 0.05251428 0.07259207 0.09567975 53 -0.09765599 0.00619594 0.00000000 0.00000000 0.00000000 54 0.00000000 0.00000000 -0.07545202 0.10062614 0.07986225 55 0.00000000 0.00000000 -0.35297406 1.47225224 1.30257367 56 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 57 0.04751292 0.74886514 0.00000000 0.00000000 0.00000000 58 0.00000000 0.00000000 -0.35297406 1.47225224 1.30257367 59 0.74886514 -0.04751292 0.00000000 0.00000000 0.00000000 60 0.00000000 0.00000000 0.84920783 1.16851786 1.38136495 61 -0.04340283 -0.68408490 0.00000000 0.00000000 0.00000000 62 -0.30593207 0.01941034 0.00000000 0.00000000 0.00000000 63 0.00000000 0.00000000 -0.61026027 0.06926215 0.06927512 64 -0.01941034 -0.30593207 0.00000000 0.00000000 0.00000000 65 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 66 -0.01890055 -0.29789709 0.00000000 0.00000000 0.00000000 67 -0.68408490 0.04340283 0.00000000 0.00000000 0.00000000 68 0.00000000 0.00000000 -0.61026027 0.06926215 0.06927512 69 -0.29789709 0.01890055 0.00000000 0.00000000 0.00000000 70 0.00000000 0.00000000 -1.30893049 0.13290853 0.14645462 31 32 33 34 35 1 0.23615839 0.00000000 0.00000000 0.00000000 0.00000000 2 -0.08594778 0.00000000 0.00000000 0.00000000 0.00000000 3 -0.23446567 0.00000000 0.00000000 0.00000000 0.00000000 4 -0.03928007 0.00000000 0.00000000 0.00000000 0.00000000 5 0.00000000 -0.44468205 2.82477198 -0.01155871 2.95914752 6 0.00000000 -2.82477198 -0.44468205 2.95914752 0.01155871 7 -3.07583148 0.00000000 0.00000000 0.00000000 0.00000000 8 0.00000000 1.38257536 -8.78259006 0.03610386 -9.24295861 9 0.00000000 8.78259006 1.38257536 -9.24295861 -0.03610386 10 9.68958820 -0.00000000 0.00000000 0.00000000 0.00000000 11 0.00000000 -0.13382012 0.85007104 -0.00385371 0.98658956 12 0.00000000 -0.85007104 -0.13382012 0.98658956 0.00385371 13 -0.98101667 0.00000000 0.00000000 0.00000000 0.00000000 14 0.02305704 0.00000000 0.00000000 0.00000000 0.00000000 15 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 16 0.00000000 0.00001597 -0.00010145 -0.00001134 0.00290280 17 0.02305704 0.00000000 0.00000000 0.00000000 0.00000000 18 0.00000000 0.00010145 0.00001597 0.00290280 0.00001134 19 -0.01122833 0.00000000 0.00000000 0.00000000 0.00000000 20 0.06880471 0.00000000 0.00000000 0.00000000 0.00000000 21 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 22 0.00000000 0.00367010 -0.02331370 -0.00012985 0.03324360 23 0.06880471 0.00000000 0.00000000 0.00000000 0.00000000 24 0.00000000 0.02331370 0.00367010 0.03324360 0.00012985 25 0.06017637 0.00000000 0.00000000 0.00000000 0.00000000 26 0.00000000 -0.66708279 4.23753730 -0.01733508 4.43795792 27 0.00000000 -1.89508429 -0.29832849 1.98471512 0.00775248 28 -2.09189766 0.00000000 0.00000000 0.00000000 0.00000000 29 0.00000000 -0.29832849 1.89508429 -0.00775248 1.98471512 30 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 31 0.00000000 -0.30019373 1.90693294 -0.00768009 1.96618283 32 0.00000000 -4.23753730 -0.66708279 4.43795792 0.01733508 33 -2.09189766 0.00000000 0.00000000 0.00000000 0.00000000 34 0.00000000 -1.90693294 -0.30019373 1.96618283 0.00768009 35 -4.60520745 0.00000000 0.00000000 0.00000000 0.00000000 36 0.23615847 0.00000000 0.00000000 0.00000000 0.00000000 37 -0.08594781 0.00000000 0.00000000 0.00000000 0.00000000 38 -0.23446584 0.00000000 0.00000000 0.00000000 0.00000000 39 -0.03927992 0.00000000 0.00000000 0.00000000 0.00000000 40 0.00000000 -0.44468069 2.82476335 0.01155874 -2.95915589 41 0.00000000 -2.82476335 -0.44468069 -2.95915589 -0.01155874 42 3.07582989 0.00000000 0.00000000 0.00000000 0.00000000 43 0.00000000 1.38257112 -8.78256314 -0.03610396 9.24298468 44 0.00000000 8.78256314 1.38257112 9.24298468 0.03610396 45 -9.68958323 0.00000000 0.00000000 0.00000000 0.00000000 46 0.00000000 -0.13381967 0.85006815 0.00385372 -0.98659207 47 0.00000000 -0.85006815 -0.13381967 -0.98659207 -0.00385372 48 0.98101599 0.00000000 0.00000000 0.00000000 0.00000000 49 0.02305704 0.00000000 0.00000000 0.00000000 0.00000000 50 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 51 0.00000000 -0.00001597 0.00010146 -0.00001134 0.00290279 52 0.02305704 0.00000000 0.00000000 0.00000000 0.00000000 53 0.00000000 -0.00010146 -0.00001597 0.00290279 0.00001134 54 -0.01122833 0.00000000 0.00000000 0.00000000 0.00000000 55 0.06880473 0.00000000 0.00000000 0.00000000 0.00000000 56 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 57 0.00000000 -0.00367011 0.02331380 -0.00012985 0.03324353 58 0.06880473 0.00000000 0.00000000 0.00000000 0.00000000 59 0.00000000 -0.02331380 -0.00367011 0.03324353 0.00012985 60 0.06017645 0.00000000 0.00000000 0.00000000 0.00000000 61 0.00000000 -0.66708076 4.23752440 0.01733513 -4.43797052 62 0.00000000 -1.89507852 -0.29832758 -1.98472075 -0.00775250 63 2.09189663 0.00000000 0.00000000 0.00000000 0.00000000 64 0.00000000 -0.29832758 1.89507852 0.00775250 -1.98472075 65 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 66 0.00000000 -0.30019283 1.90692722 0.00768012 -1.96618850 67 0.00000000 -4.23752440 -0.66708076 -4.43797052 -0.01733513 68 2.09189663 0.00000000 0.00000000 0.00000000 0.00000000 69 0.00000000 -1.90692722 -0.30019283 -1.96618850 -0.00768012 70 4.60520514 0.00000000 0.00000000 0.00000000 0.00000000 36 37 38 39 40 1 0.19608090 0.20217064 0.00000000 0.00000000 0.00000000 2 -0.06840900 -0.04924292 0.00000000 0.00000000 0.00000000 3 -0.29590931 -0.27354706 0.00000000 0.00000000 0.00000000 4 0.26164360 -0.00614782 0.00000000 0.00000000 0.00000000 5 0.00000000 0.00000000 0.05699302 -0.06687508 0.00000000 6 0.00000000 0.00000000 0.06687508 0.05699302 0.00000000 7 3.16360073 0.07592159 0.00000000 0.00000000 0.00000000 8 0.00000000 0.00000000 -0.18264148 0.21430981 0.00000000 9 0.00000000 0.00000000 -0.21430981 -0.18264148 0.00000000 10 -9.93412316 -0.17978335 0.00000000 0.00000000 0.00000000 11 0.00000000 0.00000000 0.03078747 -0.03612573 0.00000000 12 0.00000000 0.00000000 0.03612573 0.03078747 0.00000000 13 1.33393284 0.00404946 0.00000000 0.00000000 0.00000000 14 0.01376281 0.02181061 0.00000000 0.00000000 -0.00065380 15 0.00000000 0.00000000 0.00000000 0.00000000 -0.00000071 16 0.00000000 0.00000000 0.00491347 -0.00576542 0.00000000 17 0.01376281 0.02181061 0.00000000 0.00000000 0.00065380 18 0.00000000 0.00000000 0.00576542 0.00491347 0.00000000 19 0.00347978 -0.00453545 0.00000000 0.00000000 0.00000000 20 0.00594055 0.04616199 0.00000000 0.00000000 -0.00083557 21 0.00000000 0.00000000 0.00000000 0.00000000 -0.00000091 22 0.00000000 0.00000000 0.00214202 -0.00251343 0.00000000 23 0.00594055 0.04616199 0.00000000 0.00000000 0.00083557 24 0.00000000 0.00000000 0.00251343 0.00214202 0.00000000 25 0.13935313 0.03657238 0.00000000 0.00000000 0.00000000 26 0.00000000 0.00000000 0.36117337 -0.42379747 0.00000000 27 0.00000000 0.00000000 0.18952799 0.16152164 0.00000000 28 2.08912815 -0.43623649 0.00000000 0.00000000 0.61238558 29 0.00000000 0.00000000 0.16152164 -0.18952799 0.00000000 30 0.00000000 0.00000000 0.00000000 0.00000000 0.00066781 31 0.00000000 0.00000000 -0.46639999 0.54726941 0.00000000 32 0.00000000 0.00000000 0.42379747 0.36117337 0.00000000 33 2.08912815 -0.43623649 0.00000000 0.00000000 -0.61238558 34 0.00000000 0.00000000 -0.54726941 -0.46639999 0.00000000 35 4.67605326 0.79041189 0.00000000 0.00000000 0.00000000 36 -0.19608082 0.20217076 0.00000000 0.00000000 0.00000000 37 0.06840896 -0.04924279 0.00000000 0.00000000 0.00000000 38 0.29590922 -0.27354773 0.00000000 0.00000000 0.00000000 39 -0.26164361 -0.00614779 0.00000000 0.00000000 0.00000000 40 0.00000000 0.00000000 0.05699382 -0.06687601 0.00000000 41 0.00000000 0.00000000 0.06687601 0.05699382 0.00000000 42 3.16360221 -0.07592122 0.00000000 0.00000000 0.00000000 43 0.00000000 0.00000000 -0.18264403 0.21431280 0.00000000 44 0.00000000 0.00000000 -0.21431280 -0.18264403 0.00000000 45 -9.93412786 0.17978197 0.00000000 0.00000000 0.00000000 46 0.00000000 0.00000000 0.03078792 -0.03612626 0.00000000 47 0.00000000 0.00000000 0.03612626 0.03078792 0.00000000 48 1.33393330 -0.00404904 0.00000000 0.00000000 0.00000000 49 -0.01376280 0.02181068 0.00000000 0.00000000 -0.00065392 50 0.00000000 0.00000000 0.00000000 0.00000000 -0.00000071 51 0.00000000 0.00000000 -0.00491355 0.00576551 0.00000000 52 -0.01376280 0.02181068 0.00000000 0.00000000 0.00065392 53 0.00000000 0.00000000 -0.00576551 -0.00491355 0.00000000 54 -0.00347978 -0.00453554 0.00000000 0.00000000 0.00000000 55 -0.00594051 0.04616218 0.00000000 0.00000000 -0.00083556 56 0.00000000 0.00000000 0.00000000 0.00000000 -0.00000091 57 0.00000000 0.00000000 -0.00214206 0.00251347 0.00000000 58 -0.00594051 0.04616218 0.00000000 0.00000000 0.00083556 59 0.00000000 0.00000000 -0.00251347 -0.00214206 0.00000000 60 -0.13935310 0.03657246 0.00000000 0.00000000 0.00000000 61 0.00000000 0.00000000 0.36117172 -0.42379554 0.00000000 62 0.00000000 0.00000000 0.18952713 0.16152090 0.00000000 63 2.08912918 0.43623579 0.00000000 0.00000000 -0.61232785 64 0.00000000 0.00000000 0.16152090 -0.18952713 0.00000000 65 0.00000000 0.00000000 0.00000000 0.00000000 -0.00066775 66 0.00000000 0.00000000 -0.46639454 0.54726302 0.00000000 67 0.00000000 0.00000000 0.42379554 0.36117172 0.00000000 68 2.08912918 0.43623579 0.00000000 0.00000000 0.61232785 69 0.00000000 0.00000000 -0.54726302 -0.46639454 0.00000000 70 4.67605552 -0.79040991 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 -0.00000062 0.00000000 0.00000000 0.00000000 0.00000000 15 0.00075494 0.00000000 0.00000000 0.00000000 0.00000000 16 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 17 0.00000062 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 -0.00000079 0.00000000 0.00000000 0.00000000 0.00000000 21 0.00096483 0.00000000 0.00000000 0.00000000 0.00000000 22 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 23 0.00000079 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 -0.48048394 -0.28691004 -0.38050523 0.40869741 27 0.00000000 0.38493022 -0.64463686 0.54832511 0.51050134 28 0.00057834 0.00000000 0.00000000 0.00000000 0.00000000 29 0.00000000 0.64463686 0.38493022 0.51050134 -0.54832511 30 -0.70712196 0.00000000 0.00000000 0.00000000 0.00000000 31 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 32 0.00000000 -0.28691004 0.48048394 -0.40869741 -0.38050523 33 -0.00057834 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 -0.00000062 0.00000000 0.00000000 0.00000000 0.00000000 50 0.00075509 0.00000000 0.00000000 0.00000000 0.00000000 51 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 52 0.00000062 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 -0.00000079 0.00000000 0.00000000 0.00000000 0.00000000 56 0.00096482 0.00000000 0.00000000 0.00000000 0.00000000 57 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 58 0.00000079 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 -0.47943529 -0.28628386 0.38133750 -0.40959134 62 0.00000000 0.38409011 -0.64322993 -0.54952445 -0.51161795 63 -0.00057829 0.00000000 0.00000000 0.00000000 0.00000000 64 0.00000000 0.64322993 0.38409011 -0.51161795 0.54952445 65 0.70705530 0.00000000 0.00000000 0.00000000 0.00000000 66 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 67 0.00000000 -0.28628386 0.47943529 0.40959134 0.38133750 68 0.00057829 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 0.05158642 2 0.00000000 0.00000000 0.00000000 0.00000000 0.06460300 3 0.00000000 0.00000000 0.00000000 0.00000000 -0.32954412 4 0.00000000 0.00000000 0.00000000 0.00000000 0.01455280 5 0.00000000 0.00000000 0.05821121 -0.10878633 0.00000000 6 0.00000000 0.00000000 0.10878633 0.05821121 0.00000000 7 0.00000000 0.00000000 0.00000000 0.00000000 -0.19298757 8 0.00000000 0.00000000 -0.18670560 0.34891931 0.00000000 9 0.00000000 0.00000000 -0.34891931 -0.18670560 0.00000000 10 0.00000000 0.00000000 0.00000000 0.00000000 0.71066502 11 0.00000000 0.00000000 0.03312879 -0.06191177 0.00000000 12 0.00000000 0.00000000 0.06191177 0.03312879 0.00000000 13 0.00000000 0.00000000 0.00000000 0.00000000 -0.21550920 14 -0.00129544 0.00000023 0.00000000 0.00000000 0.03433710 15 -0.00000026 -0.00149585 0.00000000 0.00000000 0.00000000 16 0.00000000 0.00000000 0.00577816 -0.01079834 0.00000000 17 0.00129544 -0.00000023 0.00000000 0.00000000 0.03433710 18 0.00000000 0.00000000 0.01079834 0.00577816 0.00000000 19 0.00000000 0.00000000 0.00000000 0.00000000 -0.04297153 20 0.00003247 -0.00000001 0.00000000 0.00000000 0.09401717 21 0.00000001 0.00003749 0.00000000 0.00000000 0.00000000 22 0.00000000 0.00000000 0.00250574 -0.00468279 0.00000000 23 -0.00003247 0.00000001 0.00000000 0.00000000 0.09401717 24 0.00000000 0.00000000 0.00468279 0.00250574 0.00000000 25 0.00000000 0.00000000 0.00000000 0.00000000 0.03614790 26 0.00000000 0.00000000 -0.12255702 0.22903711 0.00000000 27 0.00000000 0.00000000 -0.10242851 -0.05480917 0.00000000 28 -0.61235667 0.00010647 0.00000000 0.00000000 0.34307390 29 0.00000000 0.00000000 -0.05480917 0.10242851 0.00000000 30 -0.00012294 -0.70708858 0.00000000 0.00000000 0.00000000 31 0.00000000 0.00000000 0.40204888 -0.75135732 0.00000000 32 0.00000000 0.00000000 -0.22903711 -0.12255702 0.00000000 33 0.61235667 -0.00010647 0.00000000 0.00000000 0.34307390 34 0.00000000 0.00000000 0.75135732 0.40204888 0.00000000 35 0.00000000 0.00000000 0.00000000 0.00000000 -1.00207668 36 0.00000000 0.00000000 0.00000000 0.00000000 -0.05158603 37 0.00000000 0.00000000 0.00000000 0.00000000 -0.06460310 38 0.00000000 0.00000000 0.00000000 0.00000000 0.32954358 39 0.00000000 0.00000000 0.00000000 0.00000000 -0.01455281 40 0.00000000 0.00000000 -0.05821081 0.10878558 0.00000000 41 0.00000000 0.00000000 -0.10878558 -0.05821081 0.00000000 42 0.00000000 0.00000000 0.00000000 0.00000000 -0.19298772 43 0.00000000 0.00000000 0.18670431 -0.34891690 0.00000000 44 0.00000000 0.00000000 0.34891690 0.18670431 0.00000000 45 0.00000000 0.00000000 0.00000000 0.00000000 0.71066538 46 0.00000000 0.00000000 -0.03312857 0.06191136 0.00000000 47 0.00000000 0.00000000 -0.06191136 -0.03312857 0.00000000 48 0.00000000 0.00000000 0.00000000 0.00000000 -0.21550921 49 0.00129538 -0.00000023 0.00000000 0.00000000 -0.03433705 50 0.00000026 0.00149577 0.00000000 0.00000000 0.00000000 51 0.00000000 0.00000000 0.00577812 -0.01079827 0.00000000 52 -0.00129538 0.00000023 0.00000000 0.00000000 -0.03433705 53 0.00000000 0.00000000 0.01079827 0.00577812 0.00000000 54 0.00000000 0.00000000 0.00000000 0.00000000 0.04297150 55 -0.00003255 0.00000001 0.00000000 0.00000000 -0.09401708 56 -0.00000001 -0.00003758 0.00000000 0.00000000 0.00000000 57 0.00000000 0.00000000 0.00250573 -0.00468276 0.00000000 58 0.00003255 -0.00000001 0.00000000 0.00000000 -0.09401708 59 0.00000000 0.00000000 0.00468276 0.00250573 0.00000000 60 0.00000000 0.00000000 0.00000000 0.00000000 -0.03614781 61 0.00000000 0.00000000 0.12255960 -0.22904193 0.00000000 62 0.00000000 0.00000000 0.10243066 0.05481032 0.00000000 63 -0.61241439 0.00010648 0.00000000 0.00000000 0.34307478 64 0.00000000 0.00000000 0.05481032 -0.10243066 0.00000000 65 -0.00012296 -0.70715523 0.00000000 0.00000000 0.00000000 66 0.00000000 0.00000000 -0.40205222 0.75136357 0.00000000 67 0.00000000 0.00000000 0.22904193 0.12255960 0.00000000 68 0.61241439 -0.00010648 0.00000000 0.00000000 0.34307478 69 0.00000000 0.00000000 -0.75136357 -0.40205222 0.00000000 70 0.00000000 0.00000000 0.00000000 0.00000000 -1.00207825 51 52 53 54 55 1 -0.22882077 0.00000000 0.00000000 0.00000000 0.00000000 2 0.04152856 0.00000000 0.00000000 0.00000000 0.00000000 3 0.31615240 0.00000000 0.00000000 0.00000000 0.00000000 4 0.00594458 0.00000000 0.00000000 0.00000000 0.00000000 5 0.00000000 0.06121418 -0.01395453 0.00000000 0.00000000 6 0.00000000 -0.01395453 -0.06121418 0.00000000 0.00000000 7 -0.06573872 0.00000000 0.00000000 0.00000000 0.00000000 8 0.00000000 -0.18076586 0.04120782 0.00000000 0.00000000 9 0.00000000 0.04120782 0.18076586 0.00000000 0.00000000 10 0.01992738 0.00000000 0.00000000 0.00000000 0.00000000 11 0.00000000 0.04498253 -0.01025433 0.00000000 0.00000000 12 0.00000000 -0.01025433 -0.04498253 0.00000000 0.00000000 13 0.01141770 0.00000000 0.00000000 0.00000000 0.00000000 14 -0.43821312 0.00000000 0.00000000 -0.02395375 0.74838864 15 0.00000000 0.00000000 0.00000000 0.86416477 0.02765941 16 0.00000000 0.83926167 -0.19132011 0.00000000 0.00000000 17 -0.43821312 0.00000000 0.00000000 0.02395375 -0.74838864 18 0.00000000 -0.19132011 -0.83926167 0.00000000 0.00000000 19 0.84206214 0.00000000 0.00000000 0.00000000 0.00000000 20 0.14970346 0.00000000 0.00000000 0.01157766 -0.36172158 21 0.00000000 0.00000000 0.00000000 -0.41768010 -0.01336873 22 0.00000000 -0.39587727 0.09024514 0.00000000 0.00000000 23 0.14970346 0.00000000 0.00000000 -0.01157766 0.36172158 24 0.00000000 0.09024514 0.39587727 0.00000000 0.00000000 25 -0.43560985 0.00000000 0.00000000 0.00000000 0.00000000 26 0.00000000 0.06495842 -0.01480808 0.00000000 0.00000000 27 0.00000000 -0.00662237 -0.02905029 0.00000000 0.00000000 28 -0.00750533 0.00000000 0.00000000 -0.00002783 0.00086956 29 0.00000000 0.02905029 -0.00662237 0.00000000 0.00000000 30 0.00000000 0.00000000 0.00000000 0.00100408 0.00003214 31 0.00000000 0.04087058 -0.00931696 0.00000000 0.00000000 32 0.00000000 -0.01480808 -0.06495842 0.00000000 0.00000000 33 -0.00750533 0.00000000 0.00000000 0.00002783 -0.00086956 34 0.00000000 -0.00931696 -0.04087058 0.00000000 0.00000000 35 0.03843074 0.00000000 0.00000000 0.00000000 0.00000000 36 -0.22882058 0.00000000 0.00000000 0.00000000 0.00000000 37 0.04152843 0.00000000 0.00000000 0.00000000 0.00000000 38 0.31615249 0.00000000 0.00000000 0.00000000 0.00000000 39 0.00594454 0.00000000 0.00000000 0.00000000 0.00000000 40 0.00000000 0.06121438 -0.01395458 0.00000000 0.00000000 41 0.00000000 -0.01395458 -0.06121438 0.00000000 0.00000000 42 0.06573855 0.00000000 0.00000000 0.00000000 0.00000000 43 0.00000000 -0.18076646 0.04120796 0.00000000 0.00000000 44 0.00000000 0.04120796 0.18076646 0.00000000 0.00000000 45 -0.01992677 0.00000000 0.00000000 0.00000000 0.00000000 46 0.00000000 0.04498267 -0.01025436 0.00000000 0.00000000 47 0.00000000 -0.01025436 -0.04498267 0.00000000 0.00000000 48 -0.01141791 0.00000000 0.00000000 0.00000000 0.00000000 49 -0.43821292 0.00000000 0.00000000 -0.02395330 0.74837450 50 0.00000000 0.00000000 0.00000000 0.86414844 0.02765889 51 0.00000000 -0.83926010 0.19131975 0.00000000 0.00000000 52 -0.43821292 0.00000000 0.00000000 0.02395330 -0.74837450 53 0.00000000 0.19131975 0.83926010 0.00000000 0.00000000 54 0.84206172 0.00000000 0.00000000 0.00000000 0.00000000 55 0.14970329 0.00000000 0.00000000 0.01157744 -0.36171469 56 0.00000000 0.00000000 0.00000000 -0.41767215 -0.01336847 57 0.00000000 0.39587647 -0.09024495 0.00000000 0.00000000 58 0.14970329 0.00000000 0.00000000 -0.01157744 0.36171469 59 0.00000000 -0.09024495 -0.39587647 0.00000000 0.00000000 60 -0.43560962 0.00000000 0.00000000 0.00000000 0.00000000 61 0.00000000 0.06495864 -0.01480813 0.00000000 0.00000000 62 0.00000000 -0.00662240 -0.02905039 0.00000000 0.00000000 63 0.00750525 0.00000000 0.00000000 0.00002783 -0.00086959 64 0.00000000 0.02905039 -0.00662240 0.00000000 0.00000000 65 0.00000000 0.00000000 0.00000000 -0.00100412 -0.00003214 66 0.00000000 0.04087072 -0.00931699 0.00000000 0.00000000 67 0.00000000 -0.01480813 -0.06495864 0.00000000 0.00000000 68 0.00750525 0.00000000 0.00000000 -0.00002783 0.00086959 69 0.00000000 -0.00931699 -0.04087072 0.00000000 0.00000000 70 -0.03843102 0.00000000 0.00000000 0.00000000 0.00000000 56 57 58 59 60 1 0.00000000 0.00000000 0.00000000 0.00000000 -0.58678622 2 0.00000000 0.00000000 0.00000000 0.00000000 0.31951108 3 0.00000000 0.00000000 0.00000000 0.00000000 -0.05045038 4 0.00000000 0.00000000 0.00000000 0.00000000 0.12992302 5 0.00000000 0.00000000 0.01345983 0.09768905 0.00000000 6 0.00000000 0.00000000 0.09768905 -0.01345983 0.00000000 7 0.00000000 0.00000000 0.00000000 0.00000000 -0.35661679 8 0.00000000 0.00000000 -0.03798255 -0.27567067 0.00000000 9 0.00000000 0.00000000 -0.27567067 0.03798255 0.00000000 10 0.00000000 0.00000000 0.00000000 0.00000000 1.28989145 11 0.00000000 0.00000000 0.00986196 0.07157634 0.00000000 12 0.00000000 0.00000000 0.07157634 -0.00986196 0.00000000 13 0.00000000 0.00000000 0.00000000 0.00000000 -0.42937733 14 0.00066487 -0.74956337 0.00000000 0.00000000 -0.43675592 15 0.86552123 0.00076773 0.00000000 0.00000000 0.00000000 16 0.00000000 0.00000000 -0.11885178 -0.86260527 0.00000000 17 -0.00066487 0.74956337 0.00000000 0.00000000 -0.43675592 18 0.00000000 0.00000000 -0.86260527 0.11885178 0.00000000 19 0.00000000 0.00000000 0.00000000 0.00000000 0.91101845 20 -0.00032343 0.36462487 0.00000000 0.00000000 0.34095097 21 -0.42103253 -0.00037346 0.00000000 0.00000000 0.00000000 22 0.00000000 0.00000000 0.06002465 0.43564833 0.00000000 23 0.00032343 -0.36462487 0.00000000 0.00000000 0.34095097 24 0.00000000 0.00000000 0.43564833 -0.06002465 0.00000000 25 0.00000000 0.00000000 0.00000000 0.00000000 -0.48609453 26 0.00000000 0.00000000 0.01324967 0.09616375 0.00000000 27 0.00000000 0.00000000 0.04300573 -0.00592543 0.00000000 28 -0.00000118 0.00132618 0.00000000 0.00000000 -0.18993743 29 0.00000000 0.00000000 0.00592543 0.04300573 0.00000000 30 -0.00153134 -0.00000136 0.00000000 0.00000000 0.00000000 31 0.00000000 0.00000000 0.00850478 0.06172616 0.00000000 32 0.00000000 0.00000000 0.09616375 -0.01324967 0.00000000 33 0.00000118 -0.00132618 0.00000000 0.00000000 -0.18993743 34 0.00000000 0.00000000 0.06172616 -0.00850478 0.00000000 35 0.00000000 0.00000000 0.00000000 0.00000000 -0.58789525 36 0.00000000 0.00000000 0.00000000 0.00000000 0.58678620 37 0.00000000 0.00000000 0.00000000 0.00000000 -0.31951107 38 0.00000000 0.00000000 0.00000000 0.00000000 0.05045033 39 0.00000000 0.00000000 0.00000000 0.00000000 -0.12992299 40 0.00000000 0.00000000 -0.01345981 -0.09768893 0.00000000 41 0.00000000 0.00000000 -0.09768893 0.01345981 0.00000000 42 0.00000000 0.00000000 0.00000000 0.00000000 -0.35661679 43 0.00000000 0.00000000 0.03798250 0.27567033 0.00000000 44 0.00000000 0.00000000 0.27567033 -0.03798250 0.00000000 45 0.00000000 0.00000000 0.00000000 0.00000000 1.28989131 46 0.00000000 0.00000000 -0.00986194 -0.07157625 0.00000000 47 0.00000000 0.00000000 -0.07157625 0.00986194 0.00000000 48 0.00000000 0.00000000 0.00000000 0.00000000 -0.42937732 49 -0.00066488 0.74957750 0.00000000 0.00000000 0.43675613 50 -0.86553755 -0.00076774 0.00000000 0.00000000 0.00000000 51 0.00000000 0.00000000 -0.11885199 -0.86260684 0.00000000 52 0.00066488 -0.74957750 0.00000000 0.00000000 0.43675613 53 0.00000000 0.00000000 -0.86260684 0.11885199 0.00000000 54 0.00000000 0.00000000 0.00000000 0.00000000 -0.91101883 55 0.00032343 -0.36463169 0.00000000 0.00000000 -0.34095105 56 0.42104041 0.00037347 0.00000000 0.00000000 0.00000000 57 0.00000000 0.00000000 0.06002475 0.43564906 0.00000000 58 -0.00032343 0.36463169 0.00000000 0.00000000 -0.34095105 59 0.00000000 0.00000000 0.43564906 -0.06002475 0.00000000 60 0.00000000 0.00000000 0.00000000 0.00000000 0.48609472 61 0.00000000 0.00000000 -0.01324965 -0.09616362 0.00000000 62 0.00000000 0.00000000 -0.04300568 0.00592542 0.00000000 63 -0.00000118 0.00132616 0.00000000 0.00000000 -0.18993739 64 0.00000000 0.00000000 -0.00592542 -0.04300568 0.00000000 65 -0.00153132 -0.00000136 0.00000000 0.00000000 0.00000000 66 0.00000000 0.00000000 -0.00850476 -0.06172608 0.00000000 67 0.00000000 0.00000000 -0.09616362 0.01324965 0.00000000 68 0.00000118 -0.00132616 0.00000000 0.00000000 -0.18993739 69 0.00000000 0.00000000 -0.06172608 0.00850476 0.00000000 70 0.00000000 0.00000000 0.00000000 0.00000000 -0.58789515 61 62 63 64 65 1 -1.10410648 -10.51954566 -10.26348358 0.00000000 0.00000000 2 0.30622747 2.37748564 2.19525991 -0.00000000 0.00000000 3 0.71094316 6.94276493 6.94386883 -0.00000000 0.00000000 4 0.29598660 2.80892899 2.64675278 -0.00000000 0.00000000 5 0.00000000 0.00000000 0.00000000 -0.07569736 -0.93811421 6 0.00000000 0.00000000 0.00000000 -0.93811421 0.07569736 7 0.99097864 -0.01444844 -0.00305561 0.00000000 0.00000000 8 0.00000000 0.00000000 0.00000000 0.50826157 6.29886454 9 0.00000000 0.00000000 0.00000000 6.29886454 -0.50826157 10 -6.48361089 0.30094961 0.00021790 0.00000000 0.00000000 11 0.00000000 0.00000000 0.00000000 -0.03630321 -0.44990424 12 0.00000000 0.00000000 0.00000000 -0.44990424 0.03630321 13 0.48168694 -0.02261512 0.04718327 0.00000000 0.00000000 14 0.04892057 0.41531048 0.46400250 0.00000000 0.00000000 15 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 16 0.00000000 0.00000000 0.00000000 -0.00099515 -0.01233285 17 0.04892057 0.41531048 0.46400250 0.00000000 0.00000000 18 0.00000000 0.00000000 0.00000000 -0.01233285 0.00099515 19 -0.03451674 0.42842629 0.37717353 0.00000000 0.00000000 20 -0.09463642 -0.67939403 -0.72785528 0.00000000 0.00000000 21 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 22 0.00000000 0.00000000 0.00000000 0.00113406 0.01405440 23 -0.09463642 -0.67939403 -0.72785528 0.00000000 0.00000000 24 0.00000000 0.00000000 0.00000000 0.01405440 -0.00113406 25 -0.05365409 -0.71219044 -0.62997153 0.00000000 0.00000000 26 0.00000000 0.00000000 0.00000000 -0.28610452 -3.54568142 27 0.00000000 0.00000000 0.00000000 -1.58567694 0.12794983 28 1.60928536 -0.08213118 -0.01429459 0.00000000 0.00000000 29 0.00000000 0.00000000 0.00000000 -0.12794983 -1.58567694 30 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 31 0.00000000 0.00000000 0.00000000 -0.12740614 -1.57893899 32 0.00000000 0.00000000 -0.00000000 -3.54568142 0.28610452 33 1.60928536 -0.08213118 -0.01429459 0.00000000 0.00000000 34 0.00000000 0.00000000 0.00000000 -1.57893899 0.12740614 35 3.61985401 -0.20009749 0.00759697 0.00000000 0.00000000 36 -1.10409824 -10.49275930 10.29086769 0.00000000 0.00000000 37 0.30622575 2.37175587 -2.20144937 0.00000000 0.00000000 38 0.71093766 6.92464287 -6.96194135 0.00000000 0.00000000 39 0.29598433 2.80202100 -2.65406522 0.00000000 0.00000000 40 0.00000000 0.00000000 0.00000000 -0.07569670 -0.93810604 41 0.00000000 0.00000000 0.00000000 -0.93810604 0.07569670 42 -0.99097738 0.01444034 -0.00309244 0.00000000 0.00000000 43 0.00000000 0.00000000 0.00000000 0.50825728 6.29881147 44 0.00000000 0.00000000 0.00000000 6.29881147 -0.50825728 45 6.48360342 -0.30094750 0.00099695 0.00000000 0.00000000 46 0.00000000 0.00000000 0.00000000 -0.03630288 -0.44990008 47 0.00000000 0.00000000 0.00000000 -0.44990008 0.03630288 48 -0.48168618 0.02273797 0.04712457 0.00000000 0.00000000 49 0.04892018 0.41409969 -0.46508342 0.00000000 0.00000000 50 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 51 0.00000000 0.00000000 0.00000000 0.00099516 0.01233303 52 0.04892018 0.41409969 -0.46508342 0.00000000 0.00000000 53 0.00000000 0.00000000 0.00000000 0.01233303 -0.00099516 54 -0.03451707 0.42744179 -0.37828886 0.00000000 0.00000000 55 -0.09463583 -0.67749463 0.72962364 0.00000000 0.00000000 56 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 57 0.00000000 0.00000000 0.00000000 -0.00113408 -0.01405459 58 -0.09463583 -0.67749463 0.72962364 0.00000000 0.00000000 59 0.00000000 0.00000000 0.00000000 -0.01405459 0.00113408 60 -0.05365362 -0.71054605 0.63182566 0.00000000 0.00000000 61 0.00000000 0.00000000 0.00000000 -0.28610213 -3.54565186 62 0.00000000 0.00000000 0.00000000 -1.58566372 0.12794876 63 -1.60928355 0.08209351 -0.01450728 0.00000000 0.00000000 64 0.00000000 0.00000000 0.00000000 -0.12794876 -1.58566372 65 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 66 0.00000000 0.00000000 0.00000000 -0.12740507 -1.57892570 67 0.00000000 -0.00000000 -0.00000000 -3.54565186 0.28610213 68 -1.60928355 0.08209351 -0.01450728 0.00000000 0.00000000 69 0.00000000 0.00000000 0.00000000 -1.57892570 0.12740507 70 -3.61984992 0.20011633 0.00707840 0.00000000 0.00000000 66 67 68 69 70 1 0.00000000 0.00000000 0.27094937 -54.11319622 -54.88193194 2 0.00000000 0.00000000 -0.10812286 26.23368170 26.48551496 3 0.00000000 0.00000000 -0.24976869 31.87333858 32.60788074 4 0.00000000 0.00000000 0.07322982 15.27427261 15.28301243 5 -0.00625281 1.00452023 0.00000000 0.00000000 0.00000000 6 1.00452023 0.00625281 0.00000000 0.00000000 0.00000000 7 0.00000000 0.00000000 1.20396518 0.07074189 0.00786645 8 0.04072475 -6.54246883 0.00000000 0.00000000 0.00000000 9 -6.54246883 -0.04072475 0.00000000 0.00000000 0.00000000 10 0.00000000 0.00000000 -7.23758548 -0.22274065 -0.06215263 11 -0.00318806 0.51216458 0.00000000 0.00000000 0.00000000 12 0.51216458 0.00318806 0.00000000 0.00000000 0.00000000 13 0.00000000 0.00000000 0.69192352 0.00614220 0.06569725 14 0.00000000 0.00000000 0.01740886 -3.50196976 -3.53397039 15 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 16 0.00013690 -0.02199312 0.00000000 0.00000000 0.00000000 17 0.00000000 0.00000000 0.01740886 -3.50196976 -3.53397039 18 -0.02199312 -0.00013690 0.00000000 0.00000000 0.00000000 19 0.00000000 0.00000000 0.01017770 -3.50210224 -3.56391790 20 0.00000000 0.00000000 0.01831103 -3.26540627 -3.39022315 21 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 22 -0.00014018 0.02251971 0.00000000 0.00000000 0.00000000 23 0.00000000 0.00000000 0.01831103 -3.26540627 -3.39022315 24 0.02251971 0.00014018 0.00000000 0.00000000 0.00000000 25 0.00000000 0.00000000 0.06150145 -3.31122219 -3.29565237 26 -0.02269044 3.64524032 0.00000000 0.00000000 0.00000000 27 1.63020103 0.01014747 0.00000000 0.00000000 0.00000000 28 0.00000000 0.00000000 1.77129027 0.03980313 0.00875732 29 -0.01014747 1.63020103 0.00000000 0.00000000 0.00000000 30 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 31 -0.01020646 1.63967673 0.00000000 0.00000000 0.00000000 32 3.64524032 0.02269044 0.00000000 0.00000000 0.00000000 33 0.00000000 0.00000000 1.77129027 0.03980313 0.00875732 34 1.63967673 0.01020646 0.00000000 0.00000000 0.00000000 35 0.00000000 0.00000000 3.96053081 0.08356473 0.04225089 36 0.00000000 0.00000000 -0.27094902 -54.11317891 54.88194899 37 0.00000000 0.00000000 0.10812273 26.23367335 -26.48552323 38 0.00000000 0.00000000 0.24976848 31.87332829 -32.60789078 39 0.00000000 0.00000000 -0.07322991 15.27426779 -15.28301725 40 0.00625286 -1.00452782 0.00000000 0.00000000 0.00000000 41 -1.00452782 -0.00625286 0.00000000 0.00000000 0.00000000 42 0.00000000 0.00000000 1.20396614 -0.07074189 0.00786647 43 -0.04072507 6.54251998 0.00000000 0.00000000 0.00000000 44 6.54251998 0.04072507 0.00000000 0.00000000 0.00000000 45 0.00000000 0.00000000 -7.23759193 0.22274064 -0.06215271 46 0.00318808 -0.51216824 0.00000000 0.00000000 0.00000000 47 -0.51216824 -0.00318808 0.00000000 0.00000000 0.00000000 48 0.00000000 0.00000000 0.69192400 -0.00614218 0.06569726 49 0.00000000 0.00000000 -0.01740888 -3.50196865 3.53397150 50 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 51 0.00013690 -0.02199303 0.00000000 0.00000000 0.00000000 52 0.00000000 0.00000000 -0.01740888 -3.50196865 3.53397150 53 -0.02199303 -0.00013690 0.00000000 0.00000000 0.00000000 54 0.00000000 0.00000000 -0.01017764 -3.50210112 3.56391900 55 0.00000000 0.00000000 -0.01831098 -3.26540520 3.39022418 56 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 57 -0.00014018 0.02251960 0.00000000 0.00000000 0.00000000 58 0.00000000 0.00000000 -0.01831098 -3.26540520 3.39022418 59 0.02251960 0.00014018 0.00000000 0.00000000 0.00000000 60 0.00000000 0.00000000 -0.06150145 -3.31122115 3.29565341 61 0.02269062 -3.64526912 0.00000000 0.00000000 0.00000000 62 -1.63021391 -0.01014755 0.00000000 0.00000000 0.00000000 63 0.00000000 0.00000000 1.77129187 -0.03980313 0.00875733 64 0.01014755 -1.63021391 0.00000000 0.00000000 0.00000000 65 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 66 0.01020654 -1.63968956 0.00000000 0.00000000 0.00000000 67 -3.64526912 -0.02269062 0.00000000 0.00000000 0.00000000 68 0.00000000 0.00000000 1.77129187 -0.03980313 0.00875733 69 -1.63968956 -0.01020654 0.00000000 0.00000000 0.00000000 70 0.00000000 0.00000000 3.96053443 -0.08356472 0.04225091 --------------------------------------- UHF spin-up orbital energies --------------------------------------- 1 1 -0.53731174 2 -0.46432096 3 0.24401420 4 0.25821059 5 0.42241635 6 0.42772929 7 0.42772929 8 0.53577767 9 0.53577767 10 0.75577520 11 1.08774651 12 1.17413684 13 1.79212926 14 1.79212926 15 1.84558952 16 1.84558952 17 1.88645037 18 1.88669341 19 1.98362692 20 2.01009907 21 2.01009907 22 2.05947495 23 2.05947495 24 2.07721024 25 2.07721024 26 2.18654344 27 2.18654344 28 2.61667012 29 3.08941774 30 3.09270799 31 4.39927363 32 4.41846124 33 4.41846124 34 4.46495215 35 4.46495215 36 4.66488937 37 6.04454231 38 6.05192856 39 6.05192856 40 6.05526426 41 6.05526426 42 6.05647450 43 6.05647450 44 6.05654520 45 6.05654520 46 6.05689907 47 6.05689907 48 6.06724490 49 6.06724490 50 6.11892123 51 8.03136300 52 8.07415597 53 8.07415597 54 8.11746694 55 8.11746694 56 8.12928106 57 8.12928106 58 8.19420376 59 8.19420376 60 8.50496133 61 9.64575274 62 9.66302591 63 9.66303003 64 9.69393513 65 9.69393513 66 9.72213748 67 9.72213748 68 9.86877144 69 22.32524593 70 22.85691746 --------------------------------------- UHF spin-down orbital energies --------------------------------------- 1 1 0.02006965 2 0.09368078 3 0.34247373 4 0.36888379 5 0.49439389 6 0.49439389 7 0.51416006 8 0.60371351 9 0.60371351 10 0.81919093 11 1.19338090 12 1.26239368 13 1.86313490 14 1.86313490 15 1.91290524 16 1.91290524 17 1.93742206 18 1.95654516 19 2.04553490 20 2.05683845 21 2.05683845 22 2.10478022 23 2.10478022 24 2.12237791 25 2.12237791 26 2.23201555 27 2.23201555 28 2.66071493 29 3.16367544 30 3.16850459 31 4.44715187 32 4.46757841 33 4.46757841 34 4.51344754 35 4.51344754 36 4.71226914 37 6.07698621 38 6.08423447 39 6.08423447 40 6.08741480 41 6.08741480 42 6.08858820 43 6.08858820 44 6.08865614 45 6.08865614 46 6.08898830 47 6.08898830 48 6.09923563 49 6.09923563 50 6.15078469 51 8.07696091 52 8.11941148 53 8.11941148 54 8.16234249 55 8.16234249 56 8.17405162 57 8.17405162 58 8.23850995 59 8.23850995 60 8.54723002 61 9.69025464 62 9.72556068 63 9.72566850 64 9.73778511 65 9.73778511 66 9.76567150 67 9.76567150 68 9.91094633 69 22.33759597 70 22.86933034 Total CPU time for UHF = 1.191 seconds AO to MO transformation... Please be patient Total CPU time for AO to MO transformation = 14.889 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 | 0.725585 | 19.744177 | | 2 | 0.739057 | 20.110767 | | 3 | 0.812437 | 22.107542 | | 4 | 0.818608 | 22.275456 | | 5 | 0.914162 | 24.875610 | | 6 | 0.914162 | 24.875610 | | 7 | 0.922353 | 25.098506 | | 8 | 0.980124 | 26.670529 | | 9 | 0.980124 | 26.670529 | | 10 | 1.002252 | 27.272663 | | 11 | 1.059184 | 28.821873 | | 12 | 1.059184 | 28.821873 | | 13 | 1.105617 | 30.085380 | | 14 | 1.105617 | 30.085380 | | 15 | 1.258766 | 34.252770 | | 16 | 1.320489 | 35.932327 | | 17 | 1.589374 | 43.249074 | | 18 | 1.633684 | 44.454802 | | 19 | 1.707869 | 46.473473 | | 20 | 1.753955 | 47.727547 | ------------------------------------------------------------- *** 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| -14.620997 0.546123| 0.100199 -0.838146| 0.961804 0.980673| -14.524625 -0.275824| | 2| -12.634817 2.549184| 0.005263 -0.796717| 0.964544 0.981318| -12.629740 1.767351| | 3| 6.639965 9.319185| -0.156273 -0.862857| 0.994197 0.973642| 6.484599 8.479071| | 4| 7.026268 10.037839| -0.136042 -1.061742| 0.994850 0.967328| 6.890927 9.010786| | 5| 11.494534 13.453143| -0.408761 -0.587796| 0.986573 0.979068| 11.091262 12.877650| | 6| 11.639107 13.453143| -0.309390 -0.587796| 0.989841 0.979068| 11.332860 12.877650| | 7| 11.639107 13.991008| -0.309390 -0.805139| 0.989841 0.971300| 11.332860 13.208977| | 8| 14.579253 16.427881| -0.345019 -0.655261| 0.988792 0.973429| 14.238100 15.790031| | 9| 14.579253 16.427881| -0.345019 -0.655261| 0.988792 0.973429| 14.238100 15.790031| | 10| 20.565691 22.291321| -0.471789 -1.007554| 0.982005 0.687040| 20.102391 21.599091| | 11| 29.599090 32.473548| -0.042034 1.970319| 0.314886 0.068837| 29.585854 32.609179| | 12| 31.949891 34.351482| -0.346019 -1.442620| 0.381736 0.214271| 31.817803 34.042370| | 13| 48.766321 50.698483| -0.773413 -0.931546| 0.926981 0.909816| 48.049382 49.850947| | 14| 48.766321 50.698483| -0.773413 -0.931546| 0.926981 0.909816| 48.049382 49.850947| | 15| 50.221049 52.052803| -0.698155 -0.853497| 0.800361 0.776264| 49.662273 51.390264| | 16| 50.221049 52.052803| -0.698155 -0.853497| 0.800361 0.776264| 49.662273 51.390264| | 17| 51.332929 52.719939| -0.630575 -0.609998| 0.727947 0.731926| 50.873904 52.273466| | 18| 51.339543 53.240306| -1.025778 -1.175026| 0.841531 0.829285| 50.476319 52.265874| | 19| 53.977238 55.661840| -0.806003 -0.909744| 0.796453 0.695318| 53.335294 55.029279| | 20| 54.697582 55.969425| -0.344962 -0.430410| 0.896160 0.882840| 54.388441 55.589441| | 21| 54.697582 55.969425| -0.344962 -0.430410| 0.896160 0.882840| 54.388441 55.589441| | 22| 56.041168 57.273987| -0.565056 -0.664665| 0.953056 0.948049| 55.502638 56.643852| | 23| 56.041168 57.273987| -0.565056 -0.664665| 0.953056 0.948049| 55.502638 56.643852| | 24| 56.523770 57.752845| -0.576969 -0.677726| 0.951725 0.946511| 55.974653 57.111370| | 25| 56.523770 57.752845| -0.576969 -0.677726| 0.951725 0.946511| 55.974653 57.111370| | 26| 59.498878 60.736237| -0.719772 -1.008837| 0.572571 0.741417| 59.086757 59.988268| | 27| 59.498878 60.736237| -0.719772 -1.008837| 0.572571 0.741417| 59.086757 59.988268| | 28| 71.203221 72.401741| -1.470154 -2.065739| 0.231893 0.209164| 70.862303 71.969662| | 29| 84.067339 86.087994| -0.117707 -0.207175| 0.650437 0.535420| 83.990778 85.977068| | 30| 84.156871 86.219401| -0.158753 -0.401830| 0.482366 0.510268| 84.080294 86.014360| | 31| 119.710333 121.013166| -0.841042 -0.112874| 0.303448 0.283049| 119.455120 120.981217| | 32| 120.232454 121.569001| -0.605537 -0.651519| 0.895866 0.862866| 119.689974 121.006827| | 33| 120.232454 121.569001| -0.605537 -0.651519| 0.895866 0.862866| 119.689974 121.006827| | 34| 121.497536 122.817163| -0.711908 -0.743169| 0.796080 0.808739| 120.930800 122.216133| | 35| 121.497536 122.817163| -0.711908 -0.743169| 0.796080 0.808739| 120.930800 122.216133| | 36| 126.938105 128.227375| -0.853951 -0.941723| 0.915711 0.912074| 126.156133 127.368453| | 37| 164.480374 165.363218| -0.682977 -0.709799| 0.932830 0.944371| 163.843273 164.692904| | 38| 164.681364 165.560453| -0.770170 -0.792544| 0.862885 0.936267| 164.016796 164.818419| | 39| 164.681364 165.560453| -0.770170 -0.792544| 0.862885 0.936267| 164.016796 164.818419| | 40| 164.772133 165.646994| -0.779293 -0.818354| 0.959311 0.957100| 164.024549 164.863747| | 41| 164.772133 165.646994| -0.779293 -0.818354| 0.959311 0.957100| 164.024549 164.863747| | 42| 164.805066 165.678924| -0.778207 -0.817668| 0.959946 0.957747| 164.058029 164.895805| | 43| 164.805066 165.678924| -0.778207 -0.817668| 0.959946 0.957747| 164.058029 164.895805| | 44| 164.806989 165.680772| -0.778148 -0.817602| 0.959937 0.957738| 164.060016 164.897724| | 45| 164.806989 165.680772| -0.778148 -0.817602| 0.959937 0.957738| 164.060016 164.897724| | 46| 164.816619 165.689811| -0.781172 -0.820132| 0.959146 0.956944| 164.067360 164.904991| | 47| 164.816619 165.689811| -0.781172 -0.820132| 0.959146 0.956944| 164.067360 164.904991| | 48| 165.098143 165.968655| -0.766050 -0.802012| 0.954244 0.950567| 164.367144 165.206289| | 49| 165.098143 165.968655| -0.766050 -0.802012| 0.954244 0.950567| 164.367144 165.206289| | 50| 166.504328 167.371377| -0.824508 -0.856497| 0.939009 0.947800| 165.730107 166.559589| | 51| 218.544519 219.785301| -1.677307 -1.745934| 0.874305 0.881763| 217.078041 218.245802| | 52| 219.708975 220.940440| -1.982642 -2.064597| 0.873134 0.876970| 217.977863 219.129851| | 53| 219.708975 220.940440| -1.982642 -2.064597| 0.873134 0.876970| 217.977863 219.129851| | 54| 220.887526 222.108652| -2.191822 -2.287836| 0.869599 0.862766| 218.981520 220.134786| | 55| 220.887526 222.108652| -2.191822 -2.287836| 0.869599 0.862766| 218.981520 220.134786| | 56| 221.209005 222.427274| -2.234369 -2.332673| 0.864442 0.857147| 219.277522 220.427830| | 57| 221.209005 222.427274| -2.234369 -2.332673| 0.864442 0.857147| 219.277522 220.427830| | 58| 222.975642 224.181274| -2.407654 -2.517385| 0.832184 0.820025| 220.972031 222.116955| | 59| 222.975642 224.181274| -2.407654 -2.517385| 0.832184 0.820025| 220.972031 222.116955| | 60| 231.431786 232.581976| -1.147745 -2.159429| 0.119682 0.140583| 231.294421 232.278397| | 61| 262.474301 263.685260| -1.572881 -1.604942| 0.922367 0.924271| 261.023528 262.201858| | 62| 262.944328 264.645986| -2.727424 -2.911371| 0.837191 0.848334| 260.660952 262.176173| | 63| 262.944440 264.648920| -2.763765 -2.896080| 0.817225 0.844843| 260.685823 262.202186| | 64| 263.785411 264.978630| -1.667265 -1.735392| 0.917426 0.910805| 262.255818 263.398026| | 65| 263.785411 264.978630| -1.667265 -1.735392| 0.917426 0.910805| 262.255818 263.398026| | 66| 264.552836 265.737457| -1.736925 -1.774403| 0.834749 0.835152| 263.102940 264.255561| | 67| 264.552836 265.737457| -1.736925 -1.774403| 0.834749 0.835152| 263.102940 264.255561| | 68| 268.542949 269.690586| -1.898486 -1.976316| 0.900333 0.894042| 266.833679 267.923676| | 69| 607.500885 607.836947| -0.848381 -0.851369| 0.973064 0.972855| 606.675356 607.008688| | 70| 621.968404 622.306176| -1.667640 -1.668199| 0.873974 0.868376| 620.510930 620.857553| -------------------------------------------------------------------------------------------------------------------------------- UG0W0 HOMO energy: 0.000000 eV UG0W0 LUMO energy: -0.275824 eV UG0W0 HOMO-LUMO gap : -0.275824 eV -------------------------------------------------------------------------------------------------------------------------------- RPA@UG0W0 total energy : -1.024058 au RPA@UG0W0 correlation energy: -0.028719 au GM@UG0W0 total energy : -1.050293 au GM@UG0W0 correlation energy: -0.054955 au -------------------------------------------------------------------------------------------------------------------------------- ------------------------------------------------------------- BSE@UGW calculation: spin-flip manifold ------------------------------------------------------------- | State | Excitation energy (au) | Excitation energy (eV) | ------------------------------------------------------------- | 1 | 0.010365 | 0.282054 | | 2 | 0.024604 | 0.669508 | | 3 | 0.307642 | 8.371376 | | 4 | 0.325530 | 8.858121 | | 5 | 0.448100 | 12.193432 | | 6 | 0.450819 | 12.267412 | | 7 | 0.570737 | 15.530556 | | 8 | 0.570737 | 15.530556 | | 9 | 0.598015 | 16.272808 | | 10 | 0.598015 | 16.272808 | | 11 | 0.601323 | 16.362828 | | 12 | 0.621992 | 16.925252 | | 13 | 0.637821 | 17.355982 | | 14 | 0.660208 | 17.965174 | | 15 | 0.813672 | 22.141134 | | 16 | 0.813672 | 22.141134 | | 17 | 0.845609 | 23.010198 | | 18 | 0.845609 | 23.010198 | | 19 | 0.963487 | 26.217818 | | 20 | 1.024801 | 27.886246 | ------------------------------------------------------------- ------------------------------------------------------------- Excitation n. 1: 0.282054 eV f = 0.0000 = 0.0062 ------------------------------------------------------------- 1A -> 2B = -0.465684 1A -> 4B = -0.252419 2A -> 1B = -0.796776 2A -> 3B = -0.269463 ------------------------------------------------------------- Excitation n. 2: 0.669508 eV f = 0.0000 = 1.9964 ------------------------------------------------------------- 1A -> 1B = 0.665266 1A -> 3B = 0.246972 2A -> 2B = 0.623690 2A -> 4B = 0.309400 ------------------------------------------------------------- Excitation n. 3: 8.371376 eV f = 0.0000 = 0.1731 ------------------------------------------------------------- 1A -> 1B = 0.688624 1A -> 7B = 0.150072 2A -> 2B = -0.699112 ------------------------------------------------------------- Excitation n. 4: 8.858121 eV f = 0.0000 = 0.2027 ------------------------------------------------------------- 1A -> 2B = -0.756782 1A -> 4B = -0.225983 2A -> 1B = 0.572403 2A -> 3B = -0.108991 2A -> 7B = 0.183204 ------------------------------------------------------------- Excitation n. 5: 12.193432 eV f = 0.0000 = 0.9704 ------------------------------------------------------------- 1A -> 2B = -0.370180 1A -> 4B = 0.428006 2A -> 1B = -0.190112 2A -> 3B = 0.786256 ------------------------------------------------------------- Excitation n. 6: 12.267412 eV f = 0.0000 = 0.9956 ------------------------------------------------------------- 1A -> 1B = 0.269995 1A -> 3B = -0.546356 2A -> 2B = 0.301555 2A -> 4B = -0.718546 ------------------------------------------------------------- Excitation n. 7: 15.530556 eV f = 0.0000 = 1.0000 ------------------------------------------------------------- 1A -> 9B = 0.423715 2A -> 5B = 0.789824 2A -> 6B = -0.436904 ------------------------------------------------------------- Excitation n. 8: 15.530556 eV f = 0.0000 = 1.0000 ------------------------------------------------------------- 1A -> 8B = 0.423715 2A -> 5B = -0.436904 2A -> 6B = -0.789824 ------------------------------------------------------------- Excitation n. 9: 16.272808 eV f = 0.0000 = 1.0000 ------------------------------------------------------------- 1A -> 5B = -0.768187 2A -> 8B = 0.320008 2A -> 9B = -0.547773 ------------------------------------------------------------- Excitation n. 10: 16.272808 eV f = 0.0000 = 1.0000 ------------------------------------------------------------- 1A -> 6B = -0.768187 2A -> 8B = 0.547773 2A -> 9B = 0.320008 ------------------------------------------------------------- Excitation n. 11: 16.362828 eV f = 0.0000 = 0.9699 ------------------------------------------------------------- 1A -> 2B = 0.241703 1A -> 4B = -0.150755 1A -> 10B = -0.208028 2A -> 7B = 0.929195 ------------------------------------------------------------- Excitation n. 12: 16.925252 eV f = 0.0000 = 0.9520 ------------------------------------------------------------- 1A -> 3B = 0.729394 1A -> 7B = 0.356925 2A -> 2B = 0.128435 2A -> 4B = -0.552589 ------------------------------------------------------------- Excitation n. 13: 17.355982 eV f = 0.0000 = 0.8671 ------------------------------------------------------------- 1A -> 2B = -0.119940 1A -> 4B = 0.810165 1A -> 10B = -0.103475 2A -> 3B = -0.531959 2A -> 7B = 0.182652 ------------------------------------------------------------- Excitation n. 14: 17.965174 eV f = 0.0000 = 0.8980 ------------------------------------------------------------- 1A -> 3B = -0.306450 1A -> 7B = 0.861270 2A -> 2B = 0.119393 2A -> 4B = 0.233799 2A -> 10B = -0.300018 ------------------------------------------------------------- Excitation n. 15: 22.141134 eV f = 0.0000 = 1.0000 ------------------------------------------------------------- 1A -> 5B = -0.632022 2A -> 8B = -0.504120 2A -> 9B = 0.582410 ------------------------------------------------------------- Excitation n. 16: 22.141134 eV f = 0.0000 = 1.0000 ------------------------------------------------------------- 1A -> 6B = 0.632022 2A -> 8B = 0.582410 2A -> 9B = 0.504120 ------------------------------------------------------------- Excitation n. 17: 23.010198 eV f = 0.0000 = 1.0000 ------------------------------------------------------------- 1A -> 9B = -0.900628 2A -> 5B = 0.370399 2A -> 6B = -0.214853 ------------------------------------------------------------- Excitation n. 18: 23.010198 eV f = 0.0000 = 1.0000 ------------------------------------------------------------- 1A -> 8B = 0.900628 2A -> 5B = 0.214853 2A -> 6B = 0.370399 ------------------------------------------------------------- Excitation n. 19: 26.217818 eV f = 0.0000 = 0.9976 ------------------------------------------------------------- 1A -> 7B = -0.307428 1A -> 11B = -0.105576 2A -> 10B = -0.938908 ------------------------------------------------------------- Excitation n. 20: 27.886246 eV f = 0.0000 = 0.9978 ------------------------------------------------------------- 1A -> 10B = 0.958119 2A -> 7B = 0.221462 2A -> 11B = 0.130434 Thomas-Reiche-Kuhn sum rule = 0.000000 ------------------------------------------------------------------------------- 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 = -0.9953382090 ------------------------------------------------------------------------------- Total CPU time for G0W0 = 0.485 seconds Total CPU time for QuAcK = 17.692 seconds