204 significant shell pairs computed in 0.000099 seconds 0 Computed Electron repulsion integrals Integrals in parallel in 2.421494 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 7.5589045018 ------------------ Nuclear repulsion energy = 0.1322943027 ------------------ 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 = 0.674 seconds Lowdin orthogonalization ************************************************ * Unrestricted Hartree-Fock calculation * ************************************************ ---------------------------------------------------------- | # | E(UHF) | Ex(UHF) | Conv | ---------------------------------------------------------- | 1 | -0.9937570660 | -0.6217308522 | 1.000000 | | 2 | -0.9992615197 | -0.6246818343 | 0.009329 | | 3 | -0.9997850094 | -0.6250049370 | 0.003779 | | 4 | -0.9998539421 | -0.6250901136 | 0.001507 | | 5 | -0.9998640689 | -0.6251214197 | 0.000596 | | 6 | -0.9998656023 | -0.6251337358 | 0.000235 | | 7 | -0.9998658365 | -0.6251386326 | 0.000093 | | 8 | -0.9998658724 | -0.6251405795 | 0.000036 | | 9 | -0.9998658779 | -0.6251413523 | 0.000014 | | 10 | -0.9998658787 | -0.6251416587 | 0.000006 | | 11 | -0.9998658789 | -0.6251417800 | 0.000002 | | 12 | -0.9998658789 | -0.6251418280 | 0.000001 | | 13 | -0.9998658789 | -0.6251418470 | 0.000000 | | 14 | -0.9998658789 | -0.6251418545 | 0.000000 | | 15 | -0.9998658789 | -0.6251418574 | 0.000000 | ---------------------------------------------------------- ------------------------------------------------- Summary ------------------------------------------------- One-electron energy: -1.2644147918 au One-electron a energy: -1.2644147918 au One-electron b energy: 0.0000000000 au Kinetic energy: 1.0001863821 au Kinetic a energy: 1.0001863821 au Kinetic b energy: 0.0000000000 au Potential energy: -2.2646011739 au Potential a energy: -2.2646011739 au Potential b energy: 0.0000000000 au ------------------------------------------------- Two-electron energy: 0.1322546103 au Two-electron aa energy: 0.1322546103 au Two-electron ab energy: 0.0000000000 au Two-electron bb energy: 0.0000000000 au Hartree energy: 0.7573964677 au Hartree aa energy: 0.7573964677 au Hartree ab energy: 0.0000000000 au Hartree bb energy: 0.0000000000 au Exchange energy: -0.6251418574 au Exchange a energy: -0.6251418574 au Exchange b energy: 0.0000000000 au ------------------------------------------------- Electronic energy: -1.1321601815 au Nuclear repulsion: 0.1322943027 au UHF energy: -0.9998658789 au ------------------------------------------------- UHF HOMO a energy: -13.534012 eV UHF LUMO a energy: 5.889306 eV UHF HOMOa-LUMOa gap: 19.423318 eV ------------------------------------------------- UHF HOMO b energy: 0.000000 eV UHF LUMO b energy: 0.938340 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 0.000000 0.000000 ------------------------------------------------- ----------------------------------------- UHF spin-up orbital coefficients ----------------------------------------- 1 2 3 4 5 1 0.71119657 -0.71852631 0.01829814 0.08406549 -0.07267857 2 -0.00354801 0.00344495 0.15295576 0.18180200 0.00924050 3 -0.00627797 0.00454564 -1.68867381 -1.94772106 -0.11330389 4 -0.00225001 0.00156133 1.29467268 1.51119210 0.20367588 5 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 6 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 7 0.00002954 0.00005426 0.06014404 -0.08520663 -0.53264359 8 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 9 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 10 -0.00000575 -0.00009403 -0.21724438 0.30779313 1.92350668 11 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 12 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 13 0.00040871 0.00046238 0.10678852 -0.15606391 -1.06214160 14 0.00052146 -0.00049751 0.01609968 0.01760080 -0.00000575 15 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 16 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 17 0.00052146 -0.00049751 0.01609968 0.01760080 -0.00000575 18 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 19 0.00053133 -0.00048819 0.01538600 0.01850090 0.00017368 20 0.00077764 -0.00056791 0.17830880 0.20828593 0.00447321 21 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 22 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 23 0.00077764 -0.00056791 0.17830880 0.20828593 0.00447321 24 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 25 0.00078911 -0.00055300 0.18183743 0.20380851 0.00385684 26 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 27 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 28 0.00001005 0.00002604 0.03940845 -0.05572642 -0.34733420 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 0.00001005 0.00002604 0.03940845 -0.05572642 -0.34733420 34 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 35 0.00002103 0.00005686 0.08828293 -0.12481278 -0.77669420 36 0.71119743 0.71852525 0.01829799 -0.08406537 -0.07267836 37 -0.00354803 -0.00344496 0.15295576 -0.18180200 0.00924041 38 -0.00627804 -0.00454575 -1.68867380 1.94772106 -0.11330306 39 -0.00224980 -0.00156108 1.29467268 -1.51119214 0.20367491 40 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 41 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 42 -0.00002956 0.00005423 -0.06014403 -0.08520672 0.53264463 43 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 44 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 45 0.00000583 -0.00009393 0.21724436 0.30779344 -1.92351042 46 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 47 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 48 -0.00040878 0.00046230 -0.10678851 -0.15606408 1.06214387 49 0.00052146 0.00049751 0.01609968 -0.01760080 -0.00000575 50 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 51 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 52 0.00052146 0.00049751 0.01609968 -0.01760080 -0.00000575 53 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 54 0.00053133 0.00048819 0.01538600 -0.01850090 0.00017367 55 0.00077765 0.00056792 0.17830880 -0.20828593 0.00447314 56 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 57 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 58 0.00077765 0.00056792 0.17830880 -0.20828593 0.00447314 59 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 60 0.00078911 0.00055300 0.18183743 -0.20380851 0.00385678 61 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 62 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 63 -0.00001006 0.00002602 -0.03940845 -0.05572648 0.34733487 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 -0.00001006 0.00002602 -0.03940845 -0.05572648 0.34733487 69 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 70 -0.00002106 0.00005681 -0.08828293 -0.12481291 0.77669571 6 7 8 9 10 1 0.00000000 0.00000000 0.00000000 0.00000000 -0.10663945 2 0.00000000 0.00000000 0.00000000 0.00000000 0.01592889 3 0.00000000 0.00000000 0.00000000 0.00000000 -0.17046282 4 0.00000000 0.00000000 0.00000000 0.00000000 0.31579267 5 -0.42457505 -0.29816735 -0.51347615 -0.03982064 0.00000000 6 -0.29816735 0.42457505 0.03982064 -0.51347615 0.00000000 7 0.00000000 0.00000000 0.00000000 0.00000000 0.48027081 8 1.53268300 1.07636103 1.85345529 0.14373751 0.00000000 9 1.07636103 -1.53268300 -0.14373751 1.85345529 0.00000000 10 0.00000000 0.00000000 0.00000000 0.00000000 -1.73227592 11 -0.86731150 -0.60908896 -1.05481633 -0.08180217 0.00000000 12 -0.60908896 0.86731150 0.08180217 -1.05481633 0.00000000 13 0.00000000 0.00000000 0.00000000 0.00000000 1.03213853 14 0.00000000 0.00000000 0.00000000 0.00000000 -0.00036596 15 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 16 0.00002050 0.00001440 -0.00002315 -0.00000180 0.00000000 17 0.00000000 0.00000000 0.00000000 0.00000000 -0.00036596 18 0.00001440 -0.00002050 0.00000180 -0.00002315 0.00000000 19 0.00000000 0.00000000 0.00000000 0.00000000 0.00033360 20 0.00000000 0.00000000 0.00000000 0.00000000 0.00704064 21 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 22 -0.00008572 -0.00006020 0.00009521 0.00000738 0.00000000 23 0.00000000 0.00000000 0.00000000 0.00000000 0.00704064 24 -0.00006020 0.00008572 -0.00000738 0.00009521 0.00000000 25 0.00000000 0.00000000 0.00000000 0.00000000 0.00390063 26 -0.61800074 -0.43400488 -0.74709512 -0.05793805 0.00000000 27 -0.19409289 0.27637833 0.02591069 -0.33411109 0.00000000 28 0.00000000 0.00000000 0.00000000 0.00000000 0.31153948 29 -0.27637833 -0.19409289 -0.33411109 -0.02591069 0.00000000 30 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 31 -0.27638238 -0.19409572 -0.33410651 -0.02591033 0.00000000 32 -0.43400488 0.61800074 0.05793805 -0.74709512 0.00000000 33 0.00000000 0.00000000 0.00000000 0.00000000 0.31153948 34 -0.19409572 0.27638238 0.02591033 -0.33410651 0.00000000 35 0.00000000 0.00000000 0.00000000 0.00000000 0.69648202 36 0.00000000 0.00000000 0.00000000 0.00000000 0.10663967 37 0.00000000 0.00000000 0.00000000 0.00000000 -0.01592892 38 0.00000000 0.00000000 0.00000000 0.00000000 0.17046312 39 0.00000000 0.00000000 0.00000000 0.00000000 -0.31579313 40 -0.42458953 -0.29817752 0.51345833 0.03981926 0.00000000 41 -0.29817752 0.42458953 -0.03981926 0.51345833 0.00000000 42 0.00000000 0.00000000 0.00000000 0.00000000 0.48026959 43 1.53273525 1.07639772 -1.85339094 -0.14373252 0.00000000 44 1.07639772 -1.53273525 0.14373252 -1.85339094 0.00000000 45 0.00000000 0.00000000 0.00000000 0.00000000 -1.73227149 46 -0.86734127 -0.60910987 1.05477995 0.08179935 0.00000000 47 -0.60910987 0.86734127 -0.08179935 1.05477995 0.00000000 48 0.00000000 0.00000000 0.00000000 0.00000000 1.03213613 49 0.00000000 0.00000000 0.00000000 0.00000000 0.00036596 50 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 51 -0.00002050 -0.00001440 -0.00002315 -0.00000180 0.00000000 52 0.00000000 0.00000000 0.00000000 0.00000000 0.00036596 53 -0.00001440 0.00002050 0.00000180 -0.00002315 0.00000000 54 0.00000000 0.00000000 0.00000000 0.00000000 -0.00033361 55 0.00000000 0.00000000 0.00000000 0.00000000 -0.00704065 56 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 57 0.00008572 0.00006020 0.00009522 0.00000738 0.00000000 58 0.00000000 0.00000000 0.00000000 0.00000000 -0.00704065 59 0.00006020 -0.00008572 -0.00000738 0.00009522 0.00000000 60 0.00000000 0.00000000 0.00000000 0.00000000 -0.00390064 61 -0.61802180 -0.43401968 0.74706918 0.05793604 0.00000000 62 -0.19409950 0.27638775 -0.02590979 0.33409949 0.00000000 63 0.00000000 0.00000000 0.00000000 0.00000000 0.31153868 64 -0.27638775 -0.19409950 0.33409949 0.02590979 0.00000000 65 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 66 -0.27639180 -0.19410234 0.33409490 0.02590943 0.00000000 67 -0.43401968 0.61802180 -0.05793604 0.74706918 0.00000000 68 0.00000000 0.00000000 0.00000000 0.00000000 0.31153868 69 -0.19410234 0.27639180 -0.02590943 0.33409490 0.00000000 70 0.00000000 0.00000000 0.00000000 0.00000000 0.69648023 11 12 13 14 15 1 -2.02982679 2.06929687 0.04830592 0.00000000 0.00000000 2 -0.90760421 0.94552958 0.08368911 0.00000000 0.00000000 3 4.66460162 -4.92138196 -0.24901995 0.00000000 0.00000000 4 -0.41351391 0.61407427 0.09658095 0.00000000 0.00000000 5 0.00000000 0.00000000 0.00000000 0.94526231 -1.28355560 6 0.00000000 0.00000000 0.00000000 1.28355560 0.94526231 7 -0.01623679 -0.03252414 -1.59870270 0.00000000 0.00000000 8 0.00000000 0.00000000 0.00000000 -3.58901291 4.87345954 9 0.00000000 0.00000000 0.00000000 -4.87345954 -3.58901291 10 0.06386424 0.12516734 6.06339813 0.00000000 0.00000000 11 0.00000000 0.00000000 0.00000000 0.68434978 -0.92926691 12 0.00000000 0.00000000 0.00000000 0.92926691 0.68434978 13 0.04156924 0.04838296 -1.14453954 0.00000000 0.00000000 14 -0.04297163 0.04245119 -0.00073588 0.00000000 0.00000000 15 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 16 0.00000000 0.00000000 0.00000000 -0.00007899 0.00010726 17 -0.04297163 0.04245119 -0.00073588 0.00000000 0.00000000 18 0.00000000 0.00000000 0.00000000 -0.00010726 -0.00007899 19 -0.04032287 0.04586019 -0.00016697 0.00000000 0.00000000 20 -0.66738045 0.70584989 0.02505428 0.00000000 0.00000000 21 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 22 0.00000000 0.00000000 0.00000000 0.00049959 -0.00067838 23 -0.66738045 0.70584989 0.02505428 0.00000000 0.00000000 24 0.00000000 0.00000000 0.00000000 0.00067838 0.00049959 25 -0.68171695 0.68747630 0.02180894 0.00000000 0.00000000 26 0.00000000 0.00000000 0.00000000 1.39703383 -1.89700845 27 0.00000000 0.00000000 0.00000000 0.84836797 0.62477252 28 -0.01149668 -0.02271555 -1.05762576 0.00000000 0.00000000 29 0.00000000 0.00000000 0.00000000 0.62477252 -0.84836797 30 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 31 0.00000000 0.00000000 0.00000000 0.62477707 -0.84837414 32 0.00000000 0.00000000 0.00000000 1.89700845 1.39703383 33 -0.01149668 -0.02271555 -1.05762576 0.00000000 0.00000000 34 0.00000000 0.00000000 0.00000000 0.84837414 0.62477707 35 -0.02615998 -0.05137101 -2.36494658 0.00000000 0.00000000 36 -2.02984394 -2.06928009 0.04830579 0.00000000 0.00000000 37 -0.90761204 -0.94552207 0.08368891 0.00000000 0.00000000 38 4.66464228 4.92134331 -0.24901929 0.00000000 0.00000000 39 -0.41351899 -0.61407085 0.09658069 0.00000000 0.00000000 40 0.00000000 0.00000000 0.00000000 0.94528301 -1.28358372 41 0.00000000 0.00000000 0.00000000 1.28358372 0.94528301 42 0.01623653 -0.03252432 1.59870511 0.00000000 0.00000000 43 0.00000000 0.00000000 0.00000000 -3.58909157 4.87356636 44 0.00000000 0.00000000 0.00000000 -4.87356636 -3.58909157 45 -0.06386324 0.12516800 -6.06340731 0.00000000 0.00000000 46 0.00000000 0.00000000 0.00000000 0.68436483 -0.92928735 47 0.00000000 0.00000000 0.00000000 0.92928735 0.68436483 48 -0.04156884 0.04838326 1.14454137 0.00000000 0.00000000 49 -0.04297198 -0.04245084 -0.00073588 0.00000000 0.00000000 50 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 51 0.00000000 0.00000000 0.00000000 0.00007899 -0.00010726 52 -0.04297198 -0.04245084 -0.00073588 0.00000000 0.00000000 53 0.00000000 0.00000000 0.00000000 0.00010726 0.00007899 54 -0.04032325 -0.04585985 -0.00016698 0.00000000 0.00000000 55 -0.66738627 -0.70584435 0.02505420 0.00000000 0.00000000 56 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 57 0.00000000 0.00000000 0.00000000 -0.00049959 0.00067839 58 -0.66738627 -0.70584435 0.02505420 0.00000000 0.00000000 59 0.00000000 0.00000000 0.00000000 -0.00067839 -0.00049959 60 -0.68172262 -0.68747063 0.02180887 0.00000000 0.00000000 61 0.00000000 0.00000000 0.00000000 1.39706442 -1.89705000 62 0.00000000 0.00000000 0.00000000 0.84838655 0.62478620 63 0.01149649 -0.02271568 1.05762734 0.00000000 0.00000000 64 0.00000000 0.00000000 0.00000000 0.62478620 -0.84838655 65 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 66 0.00000000 0.00000000 0.00000000 0.62479075 -0.84839272 67 0.00000000 0.00000000 0.00000000 1.89705000 1.39706442 68 0.01149649 -0.02271568 1.05762734 0.00000000 0.00000000 69 0.00000000 0.00000000 0.00000000 0.84839272 0.62479075 70 0.02615957 -0.05137129 2.36495013 0.00000000 0.00000000 16 17 18 19 20 1 0.00000000 0.00000000 0.05456064 0.00000000 0.00000000 2 0.00000000 0.00000000 0.12367878 0.00000000 0.00000000 3 0.00000000 0.00000000 -0.34701381 0.00000000 0.00000000 4 0.00000000 0.00000000 0.15742486 0.00000000 0.00000000 5 0.29767811 1.56504160 0.00000000 0.00023271 -0.00161415 6 1.56504160 -0.29767811 0.00000000 -0.00161415 -0.00023271 7 0.00000000 0.00000000 1.58700627 0.00000000 0.00000000 8 -1.13050194 -5.94360999 0.00000000 -0.00090168 0.00625439 9 -5.94360999 1.13050194 0.00000000 0.00625439 0.00090168 10 0.00000000 0.00000000 -6.03820166 0.00000000 0.00000000 11 0.21612386 1.13627042 0.00000000 0.00020216 -0.00140227 12 1.13627042 -0.21612386 0.00000000 -0.00140227 -0.00020216 13 0.00000000 0.00000000 1.18350229 0.00000000 0.00000000 14 0.00000000 0.00000000 -0.00327152 0.00000000 0.00000000 15 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 16 0.00002585 0.00013592 0.00000000 0.01478441 -0.10255060 17 0.00000000 0.00000000 -0.00327152 0.00000000 0.00000000 18 0.00013592 -0.00002585 0.00000000 -0.10255060 -0.01478441 19 0.00000000 0.00000000 0.00231438 0.00000000 0.00000000 20 0.00000000 0.00000000 0.04291984 0.00000000 0.00000000 21 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 22 -0.00016615 -0.00087354 0.00000000 -0.10853272 0.75282665 23 0.00000000 0.00000000 0.04291984 0.00000000 0.00000000 24 -0.00087354 0.00016615 0.00000000 0.75282665 0.10853272 25 0.00000000 0.00000000 0.00606785 0.00000000 0.00000000 26 0.43985915 2.31255792 0.00000000 0.00033836 -0.00234703 27 1.03420734 -0.19671099 0.00000000 -0.00104962 -0.00015132 28 0.00000000 0.00000000 1.04706465 0.00000000 0.00000000 29 0.19671099 1.03420734 0.00000000 0.00015132 -0.00104962 30 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 31 0.19670947 1.03419933 0.00000000 0.00015084 -0.00104632 32 2.31255792 -0.43985915 0.00000000 -0.00234703 -0.00033836 33 0.00000000 0.00000000 1.04706465 0.00000000 0.00000000 34 1.03419933 -0.19670947 0.00000000 -0.00104632 -0.00015084 35 0.00000000 0.00000000 2.34100656 0.00000000 0.00000000 36 0.00000000 0.00000000 -0.05456070 0.00000000 0.00000000 37 0.00000000 0.00000000 -0.12367889 0.00000000 0.00000000 38 0.00000000 0.00000000 0.34701416 0.00000000 0.00000000 39 0.00000000 0.00000000 -0.15742501 0.00000000 0.00000000 40 -0.29767156 -1.56500720 0.00000000 0.00023131 -0.00160445 41 -1.56500720 0.29767156 0.00000000 -0.00160445 -0.00023131 42 0.00000000 0.00000000 1.58700377 0.00000000 0.00000000 43 1.13047710 5.94347941 0.00000000 -0.00089625 0.00621677 44 5.94347941 -1.13047710 0.00000000 0.00621677 0.00089625 45 0.00000000 0.00000000 -6.03819222 0.00000000 0.00000000 46 -0.21611913 -1.13624554 0.00000000 0.00020095 -0.00139390 47 -1.13624554 0.21611913 0.00000000 -0.00139390 -0.00020095 48 0.00000000 0.00000000 1.18350053 0.00000000 0.00000000 49 0.00000000 0.00000000 0.00327152 0.00000000 0.00000000 50 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 51 0.00002585 0.00013593 0.00000000 -0.01486994 0.10314387 52 0.00000000 0.00000000 0.00327152 0.00000000 0.00000000 53 0.00013593 -0.00002585 0.00000000 0.10314387 0.01486994 54 0.00000000 0.00000000 -0.00231438 0.00000000 0.00000000 55 0.00000000 0.00000000 -0.04291988 0.00000000 0.00000000 56 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 57 -0.00016615 -0.00087353 0.00000000 0.10916062 -0.75718200 58 0.00000000 0.00000000 -0.04291988 0.00000000 0.00000000 59 -0.00087353 0.00016615 0.00000000 -0.75718200 -0.10916062 60 0.00000000 0.00000000 -0.00606790 0.00000000 0.00000000 61 -0.43984948 -2.31250708 0.00000000 0.00033633 -0.00233293 62 -1.03418460 0.19670667 0.00000000 -0.00104332 -0.00015041 63 0.00000000 0.00000000 1.04706300 0.00000000 0.00000000 64 -0.19670667 -1.03418460 0.00000000 0.00015041 -0.00104332 65 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 66 -0.19670514 -1.03417660 0.00000000 0.00014993 -0.00104000 67 -2.31250708 0.43984948 0.00000000 -0.00233293 -0.00033633 68 0.00000000 0.00000000 1.04706300 0.00000000 0.00000000 69 -1.03417660 0.19670514 0.00000000 -0.00104000 -0.00014993 70 0.00000000 0.00000000 2.34100287 0.00000000 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 0.00000000 0.00000000 0.00000000 0.00000000 -0.00150504 6 0.00000000 0.00000000 0.00000000 0.00000000 -0.00079276 7 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 8 0.00000000 0.00000000 0.00000000 0.00000000 0.00583659 9 0.00000000 0.00000000 0.00000000 0.00000000 0.00307437 10 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 11 0.00000000 0.00000000 0.00000000 0.00000000 -0.00129769 12 0.00000000 0.00000000 0.00000000 0.00000000 -0.00068355 13 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 14 -0.06538861 -0.00016668 0.10918028 0.00006822 0.00000000 15 -0.00019247 0.07550426 0.00007878 -0.12607052 0.00000000 16 0.00000000 0.00000000 0.00000000 0.00000000 0.09220043 17 0.06538861 0.00016668 -0.10918028 -0.00006822 0.00000000 18 0.00000000 0.00000000 0.00000000 0.00000000 0.04856571 19 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 20 0.48002249 0.00122364 -0.80150054 -0.00050082 0.00000000 21 0.00141294 -0.55428221 -0.00057830 0.92549311 0.00000000 22 0.00000000 -0.00000000 0.00000000 0.00000000 -0.67685259 23 -0.48002249 -0.00122364 0.80150054 0.00050082 0.00000000 24 -0.00000000 0.00000000 0.00000000 -0.00000000 -0.35652572 25 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 26 0.00000000 0.00000000 0.00000000 0.00000000 -0.00218781 27 0.00000000 0.00000000 0.00000000 0.00000000 -0.00051537 28 0.00000106 0.00000000 -0.00000175 -0.00000000 0.00000000 29 0.00000000 0.00000000 0.00000000 0.00000000 -0.00097842 30 0.00000000 -0.00000122 -0.00000000 0.00000202 0.00000000 31 0.00000000 0.00000000 0.00000000 0.00000000 -0.00098092 32 0.00000000 0.00000000 0.00000000 0.00000000 -0.00115241 33 -0.00000106 -0.00000000 0.00000175 0.00000000 0.00000000 34 0.00000000 0.00000000 0.00000000 0.00000000 -0.00051669 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 0.00151330 41 0.00000000 0.00000000 0.00000000 0.00000000 0.00079712 42 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 43 0.00000000 0.00000000 0.00000000 0.00000000 -0.00586859 44 0.00000000 0.00000000 0.00000000 0.00000000 -0.00309123 45 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 46 0.00000000 0.00000000 0.00000000 0.00000000 0.00130487 47 0.00000000 0.00000000 0.00000000 0.00000000 0.00068733 48 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 49 -0.10917996 -0.00027831 -0.06538877 -0.00004086 0.00000000 50 -0.00032137 0.12607016 -0.00004718 0.07550445 0.00000000 51 0.00000000 0.00000000 0.00000000 0.00000000 0.09167008 52 0.10917996 0.00027831 0.06538877 0.00004086 0.00000000 53 0.00000000 0.00000000 0.00000000 0.00000000 0.04828635 54 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 55 0.80149810 0.00204312 0.48002394 0.00029995 0.00000000 56 0.00235920 -0.92549030 0.00034634 -0.55428389 0.00000000 57 0.00000000 0.00000000 0.00000000 0.00000000 -0.67295930 58 -0.80149810 -0.00204312 -0.48002394 -0.00029995 0.00000000 59 0.00000000 0.00000000 0.00000000 -0.00000000 -0.35447497 60 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 61 0.00000000 0.00000000 0.00000000 0.00000000 0.00219983 62 0.00000000 0.00000000 0.00000000 0.00000000 0.00051820 63 -0.00000175 -0.00000000 -0.00000104 -0.00000000 0.00000000 64 0.00000000 0.00000000 0.00000000 0.00000000 0.00098379 65 -0.00000001 0.00000202 -0.00000000 0.00000120 0.00000000 66 0.00000000 0.00000000 0.00000000 0.00000000 0.00098627 67 0.00000000 0.00000000 0.00000000 0.00000000 0.00115874 68 0.00000175 0.00000000 0.00000104 0.00000000 0.00000000 69 0.00000000 0.00000000 0.00000000 0.00000000 0.00051951 70 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 26 27 28 29 30 1 0.00000000 -0.01281238 0.01151624 1.25349473 -1.25879930 2 0.00000000 0.04365081 -0.05975400 -0.16467176 0.13375743 3 0.00000000 -0.05023526 0.08604948 -4.23894760 4.36767142 4 0.00000000 0.03873542 -0.06218008 0.30530535 -0.41733281 5 0.00079276 0.00000000 0.00000000 0.00000000 0.00000000 6 -0.00150504 0.00000000 0.00000000 0.00000000 0.00000000 7 0.00000000 0.00364894 -0.04792662 -0.02347089 -0.02601609 8 -0.00307437 0.00000000 0.00000000 0.00000000 0.00000000 9 0.00583659 0.00000000 0.00000000 0.00000000 0.00000000 10 0.00000000 -0.01458650 0.18502913 0.10876852 0.13062903 11 0.00068355 0.00000000 0.00000000 0.00000000 0.00000000 12 -0.00129769 0.00000000 0.00000000 0.00000000 0.00000000 13 0.00000000 0.00286749 -0.04199302 -0.05239481 -0.06941498 14 0.00000000 -0.05387206 -0.04952344 0.08963387 -0.09036843 15 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 16 -0.04856571 0.00000000 0.00000000 0.00000000 0.00000000 17 0.00000000 -0.05387206 -0.04952344 0.08963387 -0.09036843 18 0.09220043 0.00000000 0.00000000 0.00000000 0.00000000 19 0.00000000 0.10190463 0.10611408 0.09079913 -0.08899187 20 0.00000000 0.37935114 0.38129384 1.33842928 -1.33678740 21 -0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 22 0.35652572 0.00000000 0.00000000 0.00000000 0.00000000 23 0.00000000 0.37935114 0.38129384 1.33842928 -1.33678740 24 -0.67685259 0.00000000 0.00000000 0.00000000 0.00000000 25 0.00000000 -0.76463389 -0.76214637 1.31727927 -1.36255784 26 0.00115241 0.00000000 0.00000000 0.00000000 0.00000000 27 -0.00097842 0.00000000 0.00000000 0.00000000 0.00000000 28 0.00000000 0.00231244 -0.03126666 -0.01432916 -0.01515312 29 0.00051537 0.00000000 0.00000000 0.00000000 0.00000000 30 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 31 0.00051669 0.00000000 0.00000000 0.00000000 0.00000000 32 -0.00218781 0.00000000 0.00000000 0.00000000 0.00000000 33 0.00000000 0.00231244 -0.03126666 -0.01432916 -0.01515312 34 -0.00098092 0.00000000 0.00000000 0.00000000 0.00000000 35 0.00000000 0.00520271 -0.06984678 -0.03075725 -0.03231973 36 0.00000000 -0.01281084 -0.01151798 1.25354210 1.25875195 37 0.00000000 0.04364275 0.05975988 -0.16467675 -0.13375117 38 0.00000000 -0.05022362 -0.08605622 -4.23911226 -4.36751160 39 0.00000000 0.03872703 0.06218530 0.30532113 0.41732134 40 -0.00079712 0.00000000 0.00000000 0.00000000 0.00000000 41 0.00151330 0.00000000 0.00000000 0.00000000 0.00000000 42 0.00000000 -0.00364250 -0.04792705 0.02346989 -0.02601695 43 0.00309123 0.00000000 0.00000000 0.00000000 0.00000000 44 -0.00586859 0.00000000 0.00000000 0.00000000 0.00000000 45 0.00000000 0.01456164 0.18503086 -0.10876354 0.13063305 46 -0.00068733 0.00000000 0.00000000 0.00000000 0.00000000 47 0.00130487 0.00000000 0.00000000 0.00000000 0.00000000 48 0.00000000 -0.00286184 -0.04199336 0.05239219 -0.06941694 49 0.00000000 -0.05387873 0.04951618 0.08963728 0.09036505 50 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 51 -0.04828635 0.00000000 0.00000000 0.00000000 0.00000000 52 0.00000000 -0.05387873 0.04951618 0.08963728 0.09036505 53 0.09167008 0.00000000 0.00000000 0.00000000 0.00000000 54 0.00000000 0.10191893 -0.10610034 0.09080249 0.08898845 55 -0.00000000 0.37940254 -0.38124269 1.33847967 1.33673695 56 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 57 0.35447497 0.00000000 0.00000000 0.00000000 0.00000000 58 0.00000000 0.37940254 -0.38124269 1.33847967 1.33673695 59 -0.67295929 0.00000000 0.00000000 0.00000000 0.00000000 60 0.00000000 -0.76473665 0.76204325 1.31733065 1.36250818 61 -0.00115874 0.00000000 0.00000000 0.00000000 0.00000000 62 0.00098379 0.00000000 0.00000000 0.00000000 0.00000000 63 0.00000000 -0.00230824 -0.03126693 0.01432858 -0.01515365 64 -0.00051820 0.00000000 0.00000000 0.00000000 0.00000000 65 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 66 -0.00051951 0.00000000 0.00000000 0.00000000 0.00000000 67 0.00219983 0.00000000 0.00000000 0.00000000 0.00000000 68 0.00000000 -0.00230824 -0.03126693 0.01432858 -0.01515365 69 0.00098627 0.00000000 0.00000000 0.00000000 0.00000000 70 0.00000000 -0.00519333 -0.06984739 0.03075600 -0.03232086 31 32 33 34 35 1 0.03827924 0.00000000 0.00000000 0.00000000 0.00000000 2 -0.06139447 0.00000000 0.00000000 0.00000000 0.00000000 3 0.15398913 0.00000000 0.00000000 0.00000000 0.00000000 4 -0.07833545 0.00000000 0.00000000 0.00000000 0.00000000 5 0.00000000 -2.30233949 1.77581861 1.43692212 -2.53296850 6 0.00000000 -1.77581861 -2.30233950 2.53296850 1.43692212 7 2.88741514 0.00000000 0.00000000 0.00000000 0.00000000 8 0.00000000 7.16668129 -5.52773649 -4.47343040 7.88564536 9 0.00000000 5.52773649 7.16668129 -7.88564536 -4.47343040 10 -8.98287420 0.00000000 0.00000000 0.00000000 0.00000000 11 0.00000000 -0.72458697 0.55888153 0.45339588 -0.79923433 12 0.00000000 -0.55888153 -0.72458697 0.79923433 0.45339588 13 0.89912021 0.00000000 0.00000000 0.00000000 0.00000000 14 0.00115834 0.00000000 0.00000000 0.00000000 0.00000000 15 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 16 0.00000000 0.00001811 -0.00001396 0.00001342 -0.00002365 17 0.00115834 0.00000000 0.00000000 0.00000000 0.00000000 18 0.00000000 0.00001396 0.00001811 0.00002365 0.00001342 19 0.00097752 0.00000000 0.00000000 0.00000000 0.00000000 20 -0.03808322 0.00000000 0.00000000 0.00000000 0.00000000 21 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 22 0.00000000 0.00006646 -0.00005126 0.00004179 -0.00007366 23 -0.03808322 0.00000000 0.00000000 0.00000000 0.00000000 24 0.00000000 0.00005126 0.00006646 0.00007366 0.00004179 25 -0.03821783 0.00000000 0.00000000 0.00000000 0.00000000 26 0.00000000 -3.44462262 2.65687358 2.14941103 -3.78892519 27 0.00000000 -1.18818998 -1.54048207 1.69445886 0.96124584 28 1.93378031 0.00000000 0.00000000 0.00000000 0.00000000 29 0.00000000 -1.54048207 1.18818998 0.96124584 -1.69445886 30 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 31 0.00000000 -1.54049971 1.18820359 0.96123463 -1.69443910 32 0.00000000 -2.65687358 -3.44462262 3.78892519 2.14941103 33 1.93378031 0.00000000 0.00000000 0.00000000 0.00000000 34 0.00000000 -1.18820359 -1.54049971 1.69443910 0.96123463 35 4.32405507 0.00000000 0.00000000 0.00000000 0.00000000 36 0.03827915 0.00000000 0.00000000 0.00000000 0.00000000 37 -0.06139426 0.00000000 0.00000000 0.00000000 0.00000000 38 0.15398857 0.00000000 0.00000000 0.00000000 0.00000000 39 -0.07833517 0.00000000 0.00000000 0.00000000 0.00000000 40 0.00000000 -2.30241364 1.77587581 -1.43687600 2.53288720 41 0.00000000 -1.77587581 -2.30241364 -2.53288720 -1.43687600 42 -2.88742180 0.00000000 0.00000000 0.00000000 0.00000000 43 0.00000000 7.16691211 -5.52791453 4.47328683 -7.88539228 44 0.00000000 5.52791453 7.16691211 7.88539228 4.47328683 45 8.98289496 0.00000000 0.00000000 0.00000000 0.00000000 46 0.00000000 -0.72461037 0.55889958 -0.45338137 0.79920875 47 0.00000000 -0.55889958 -0.72461037 -0.79920875 -0.45338137 48 -0.89912238 0.00000000 0.00000000 0.00000000 0.00000000 49 0.00115833 0.00000000 0.00000000 0.00000000 0.00000000 50 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 51 0.00000000 -0.00001811 0.00001397 0.00001341 -0.00002365 52 0.00115833 0.00000000 0.00000000 0.00000000 0.00000000 53 0.00000000 -0.00001397 -0.00001811 0.00002365 0.00001341 54 0.00097751 0.00000000 0.00000000 0.00000000 0.00000000 55 -0.03808310 0.00000000 0.00000000 0.00000000 0.00000000 56 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 57 0.00000000 -0.00006645 0.00005126 0.00004179 -0.00007366 58 -0.03808310 0.00000000 0.00000000 0.00000000 0.00000000 59 0.00000000 -0.00005126 -0.00006645 0.00007366 0.00004179 60 -0.03821770 0.00000000 0.00000000 0.00000000 0.00000000 61 0.00000000 -3.44473351 2.65695911 -2.14934202 3.78880353 62 0.00000000 -1.18822824 -1.54053166 -1.69440445 -0.96121497 63 -1.93378475 0.00000000 0.00000000 0.00000000 0.00000000 64 0.00000000 -1.54053166 1.18822824 -0.96121497 1.69440445 65 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 66 0.00000000 -1.54054930 1.18824184 -0.96120376 1.69438469 67 0.00000000 -2.65695911 -3.44473351 -3.78880353 -2.14934202 68 -1.93378475 0.00000000 0.00000000 0.00000000 0.00000000 69 0.00000000 -1.18824184 -1.54054930 -1.69438469 -0.96120376 70 -4.32406500 0.00000000 0.00000000 0.00000000 0.00000000 36 37 38 39 40 1 -0.06796799 0.00000000 0.00000000 0.00000000 0.00000000 2 0.09855038 0.00000000 0.00000000 0.00000000 0.00000000 3 -0.23299612 0.00000000 0.00000000 0.00000000 0.00000000 4 0.13128069 0.00000000 0.00000000 0.00000000 0.00000000 5 0.00000000 0.00011365 -0.00002450 -0.00007743 -0.00000701 6 0.00000000 0.00002450 0.00011365 -0.00000701 0.00007743 7 2.95442620 0.00000000 0.00000000 0.00000000 0.00000000 8 0.00000000 -0.00034804 0.00007502 0.00023851 0.00002158 9 0.00000000 -0.00007502 -0.00034804 0.00002158 -0.00023851 10 -9.21107247 0.00000000 0.00000000 0.00000000 0.00000000 11 0.00000000 0.00005433 -0.00001171 -0.00003683 -0.00000333 12 0.00000000 0.00001171 0.00005433 -0.00000333 0.00003683 13 0.95684568 0.00000000 0.00000000 0.00000000 0.00000000 14 -0.00241754 0.00000000 0.00000000 0.00000000 0.00000000 15 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 16 0.00000000 -0.00000167 0.00000036 -0.00000298 -0.00000027 17 -0.00241754 0.00000000 0.00000000 0.00000000 0.00000000 18 0.00000000 -0.00000036 -0.00000167 -0.00000027 0.00000298 19 -0.00156421 0.00000000 0.00000000 0.00000000 0.00000000 20 0.05582840 0.00000000 0.00000000 0.00000000 0.00000000 21 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 22 0.00000000 0.00000276 -0.00000059 0.00000398 0.00000036 23 0.05582840 0.00000000 0.00000000 0.00000000 0.00000000 24 0.00000000 0.00000059 0.00000276 0.00000036 -0.00000398 25 0.05939933 0.00000000 0.00000000 0.00000000 0.00000000 26 0.00000000 0.32698043 -0.07047832 0.51085780 0.04622925 27 0.00000000 0.03151890 0.14623025 0.02067437 -0.22846283 28 1.97329182 -0.00000000 -0.00000000 0.00000000 -0.00000000 29 0.00000000 0.14623025 -0.03151890 0.22846283 0.02067437 30 0.00000000 0.00000000 -0.00000000 -0.00000000 0.00000000 31 0.00000000 -0.58457716 0.12600147 -0.91408624 -0.08271876 32 0.00000000 0.07047832 0.32698043 0.04622925 -0.51085780 33 1.97329182 0.00000000 0.00000000 -0.00000000 0.00000000 34 0.00000000 -0.12600148 -0.58457716 -0.08271875 0.91408624 35 4.41135722 0.00000000 0.00000000 0.00000000 0.00000000 36 0.06796804 0.00000000 0.00000000 0.00000000 0.00000000 37 -0.09855051 0.00000000 0.00000000 0.00000000 0.00000000 38 0.23299646 0.00000000 0.00000000 0.00000000 0.00000000 39 -0.13128085 0.00000000 0.00000000 0.00000000 0.00000000 40 0.00000000 0.00007328 -0.00001579 0.00011760 0.00001064 41 0.00000000 0.00001579 0.00007328 0.00001064 -0.00011760 42 2.95441971 0.00000000 0.00000000 0.00000000 0.00000000 43 0.00000000 -0.00022385 0.00004825 -0.00036139 -0.00003270 44 0.00000000 -0.00004825 -0.00022385 -0.00003270 0.00036139 45 -9.21105228 0.00000000 0.00000000 0.00000000 0.00000000 46 0.00000000 0.00003511 -0.00000757 0.00005604 0.00000507 47 0.00000000 0.00000757 0.00003511 0.00000507 -0.00005604 48 0.95684367 0.00000000 0.00000000 0.00000000 0.00000000 49 0.00241754 0.00000000 0.00000000 0.00000000 0.00000000 50 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 51 0.00000000 0.00000270 -0.00000058 -0.00000203 -0.00000018 52 0.00241754 0.00000000 0.00000000 0.00000000 0.00000000 53 0.00000000 0.00000058 0.00000270 -0.00000018 0.00000203 54 0.00156422 0.00000000 0.00000000 0.00000000 0.00000000 55 -0.05582848 0.00000000 0.00000000 0.00000000 0.00000000 56 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 57 0.00000000 -0.00000409 0.00000088 0.00000250 0.00000023 58 -0.05582848 0.00000000 0.00000000 0.00000000 0.00000000 59 0.00000000 -0.00000088 -0.00000409 0.00000023 -0.00000250 60 -0.05939940 0.00000000 0.00000000 0.00000000 0.00000000 61 0.00000000 0.50163178 -0.10812319 -0.33281244 -0.03011732 62 0.00000000 0.04835421 0.22433681 -0.01346889 0.14883844 63 1.97328747 0.00000000 0.00000000 -0.00000000 0.00000000 64 0.00000000 0.22433680 -0.04835421 -0.14883843 -0.01346889 65 0.00000000 0.00000000 0.00000000 -0.00000000 0.00000000 66 0.00000000 -0.89712578 0.19336912 0.59571011 0.05390782 67 0.00000000 0.10812318 0.50163177 -0.03011732 0.33281243 68 1.97328747 -0.00000000 -0.00000000 0.00000000 -0.00000000 69 0.00000000 -0.19336912 -0.89712578 0.05390783 -0.59571012 70 4.41134749 0.00000000 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 -0.00000019 -0.00000000 -0.00000237 0.00000000 0.00000000 15 0.00000000 -0.00000022 -0.00000001 -0.00000274 0.00000000 16 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 17 0.00000019 0.00000000 0.00000237 -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 0.00000028 0.00000000 0.00000320 -0.00000001 0.00000000 21 -0.00000000 0.00000032 0.00000001 0.00000370 0.00000000 22 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 23 -0.00000028 -0.00000000 -0.00000320 0.00000001 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 0.00000000 0.00000000 -0.00000000 0.01410319 27 0.00000000 -0.00000000 -0.00000000 -0.00000000 0.00020140 28 -0.07340318 -0.00015795 -0.86290719 0.00177119 0.00000000 29 0.00000000 0.00000000 -0.00000000 0.00000000 -0.01892140 30 0.00018241 -0.08475867 -0.00204520 -0.99639939 0.00000000 31 -0.00000000 -0.00000000 0.00000000 0.00000000 -0.00000002 32 0.00000000 0.00000000 0.00000000 -0.00000000 -0.00015011 33 0.07340318 0.00015795 0.86290719 -0.00177119 -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 -0.00000237 -0.00000001 0.00000021 -0.00000000 0.00000000 50 0.00000001 -0.00000273 0.00000000 0.00000025 0.00000000 51 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 52 0.00000237 0.00000001 -0.00000021 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 0.00000320 0.00000001 -0.00000027 0.00000000 0.00000000 56 -0.00000001 0.00000369 -0.00000000 -0.00000031 0.00000000 57 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 58 -0.00000320 -0.00000001 0.00000027 -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 -0.00000000 -0.00000000 0.00000000 -0.79039896 62 0.00000000 -0.00000000 0.00000000 0.00000000 -0.01128707 63 0.86290701 0.00185693 -0.07340319 0.00015068 -0.00000000 64 0.00000000 -0.00000000 0.00000000 0.00000000 1.06043124 65 -0.00214420 0.99639919 -0.00017397 -0.08475869 0.00000000 66 0.00000000 0.00000000 0.00000000 -0.00000000 0.00000024 67 -0.00000000 -0.00000000 -0.00000000 -0.00000000 0.00841289 68 -0.86290701 -0.00185693 0.07340319 -0.00015068 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 -0.01686636 0.01985266 2 0.00000000 0.00000000 0.00000000 0.01037074 -0.01261878 3 0.00000000 0.00000000 0.00000000 -0.00253181 0.00459055 4 0.00000000 0.00000000 0.00000000 0.00930123 -0.01217606 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 -0.00018417 -0.00279349 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 0.00067939 0.00874294 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 -0.00020600 -0.00150993 14 0.00000000 0.00000000 0.00000000 -0.00055567 0.00070114 15 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 16 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 17 0.00000000 0.00000000 0.00000000 -0.00055567 0.00070114 18 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 19 0.00000000 0.00000000 0.00000000 -0.00061482 0.00060935 20 0.00000000 0.00000000 0.00000000 0.00190400 -0.00242165 21 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 22 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 23 0.00000000 0.00000000 0.00000000 0.00190400 -0.00242165 24 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 25 0.00000000 0.00000000 0.00000000 0.00186734 -0.00248239 26 -0.00015011 -0.78643471 -0.07950935 0.00000000 0.00000000 27 0.01892141 0.10667296 -1.05511264 0.00000000 0.00000000 28 -0.00000000 -0.00000000 0.00000000 0.47194362 0.47489083 29 0.00020140 1.05511264 0.10667296 0.00000000 0.00000000 30 -0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 31 0.00000000 0.00000025 0.00000002 0.00000000 0.00000000 32 -0.01410320 -0.07950935 0.78643471 0.00000000 0.00000000 33 0.00000000 0.00000000 -0.00000000 0.47194363 0.47489083 34 0.00000002 0.00000002 -0.00000024 0.00000000 0.00000000 35 0.00000000 0.00000000 0.00000000 -0.70400107 -0.71431142 36 0.00000000 0.00000000 0.00000000 -0.01667580 -0.02001300 37 0.00000000 0.00000000 0.00000000 0.01024963 0.01271735 38 0.00000000 0.00000000 0.00000000 -0.00248781 -0.00461454 39 0.00000000 0.00000000 0.00000000 0.00918441 0.01226442 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 0.00021087 -0.00279160 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 -0.00076294 0.00873605 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 0.00022042 -0.00150789 49 0.00000000 0.00000000 0.00000000 -0.00054894 -0.00070642 50 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 51 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 52 0.00000000 0.00000000 0.00000000 -0.00054894 -0.00070642 53 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 54 0.00000000 0.00000000 0.00000000 -0.00060897 -0.00061521 55 0.00000000 0.00000000 0.00000000 0.00188077 0.00243974 56 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 57 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 58 0.00000000 0.00000000 0.00000000 0.00188077 0.00243974 59 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 60 0.00000000 0.00000000 0.00000000 0.00184351 0.00250014 61 0.00841289 -0.01403244 -0.00141869 0.00000000 0.00000000 62 -1.06043124 0.00190338 -0.01882652 0.00000000 0.00000000 63 0.00000000 -0.00000000 0.00000000 -0.47646196 0.47035740 64 -0.01128707 0.01882650 0.00190338 0.00000000 0.00000000 65 0.00000000 -0.00000000 -0.00000000 0.00000000 0.00000000 66 -0.00000000 -0.00000001 -0.00000000 0.00000000 0.00000000 67 0.79039897 -0.00141870 0.01403245 -0.00000000 0.00000000 68 -0.00000000 0.00000000 -0.00000000 -0.47646196 0.47035740 69 -0.00000025 -0.00000000 0.00000001 0.00000000 0.00000000 70 0.00000000 0.00000000 0.00000000 0.71079763 -0.70754862 51 52 53 54 55 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 0.00002459 -0.00021077 0.00000000 0.00000000 0.00008900 6 0.00021077 0.00002459 0.00000000 0.00000000 -0.00019643 7 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 8 -0.00005146 0.00044100 0.00000000 0.00000000 -0.00019270 9 -0.00044100 -0.00005146 0.00000000 0.00000000 0.00042530 10 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 11 0.00001406 -0.00012047 0.00000000 0.00000000 0.00004889 12 0.00012047 0.00001406 0.00000000 0.00000000 -0.00010791 13 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 14 0.00000000 0.00000000 -0.00279802 -0.31186814 -0.00000007 15 0.00000000 -0.00000000 -0.36011432 0.00323089 -0.00000007 16 0.09771140 -0.83742423 0.00000001 -0.00000001 -0.36609414 17 0.00000000 -0.00000000 0.00279802 0.31186814 0.00000007 18 0.83742422 0.09771140 -0.00000001 -0.00000002 0.80799204 19 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 20 0.00000000 -0.00000000 0.00136325 0.15194824 0.00000004 21 0.00000000 0.00000000 0.17545472 -0.00157415 0.00000003 22 -0.04760683 0.40800877 -0.00000000 0.00000001 0.17836840 23 0.00000000 0.00000000 -0.00136325 -0.15194824 -0.00000004 24 -0.40800876 -0.04760683 0.00000001 0.00000001 -0.39366991 25 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 26 0.00001594 -0.00013664 0.00000000 0.00000000 0.00006256 27 0.00006111 0.00000713 0.00000000 0.00000000 -0.00006175 28 0.00000000 0.00000000 0.00000000 0.00000049 0.00000000 29 0.00000713 -0.00006111 0.00000000 0.00000000 0.00002798 30 0.00000000 0.00000000 0.00000056 -0.00000001 0.00000000 31 0.00000689 -0.00005903 0.00000000 0.00000000 0.00002905 32 0.00013664 0.00001594 0.00000000 0.00000000 -0.00013808 33 0.00000000 0.00000000 -0.00000000 -0.00000049 0.00000000 34 0.00005903 0.00000689 0.00000000 0.00000000 -0.00006411 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 0.00002329 -0.00019964 0.00000000 0.00000000 -0.00009333 41 0.00019964 0.00002329 0.00000000 0.00000000 0.00020598 42 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 43 -0.00004865 0.00041694 0.00000000 0.00000000 0.00020173 44 -0.00041694 -0.00004865 0.00000000 0.00000000 -0.00044524 45 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 46 0.00001334 -0.00011434 0.00000000 0.00000000 -0.00005137 47 0.00011434 0.00001334 0.00000000 0.00000000 0.00011337 48 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 49 -0.00000000 -0.00000000 -0.00908735 -1.01287961 0.00000001 50 -0.00000000 -0.00000000 -1.16957262 0.01049317 0.00000000 51 -0.10280551 0.88108267 0.00000000 -0.00000001 -0.34795385 52 0.00000000 0.00000000 0.00908735 1.01287961 -0.00000001 53 -0.88108268 -0.10280551 -0.00000001 -0.00000001 0.76795532 54 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 55 0.00000000 0.00000000 0.00442754 0.49349477 -0.00000001 56 0.00000000 0.00000000 0.56983867 -0.00511248 -0.00000000 57 0.05008878 -0.42928004 -0.00000000 0.00000001 0.16953011 58 -0.00000000 -0.00000000 -0.00442754 -0.49349477 0.00000001 59 0.42928004 0.05008878 0.00000001 0.00000001 -0.37416327 60 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 61 0.00001503 -0.00012884 0.00000000 0.00000000 -0.00006535 62 0.00005762 0.00000672 0.00000000 0.00000000 0.00006450 63 0.00000000 0.00000000 -0.00000001 -0.00000162 0.00000000 64 0.00000672 -0.00005762 0.00000000 0.00000000 -0.00002923 65 0.00000000 0.00000000 -0.00000187 0.00000002 0.00000000 66 0.00000647 -0.00005542 0.00000000 0.00000000 -0.00003025 67 0.00012884 0.00001503 0.00000000 0.00000000 0.00014424 68 0.00000000 0.00000000 0.00000001 0.00000162 0.00000000 69 0.00005542 0.00000647 0.00000000 0.00000000 0.00006676 70 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 56 57 58 59 60 1 0.00000000 0.00000000 0.00000000 0.13048457 0.15787732 2 0.00000000 0.00000000 0.00000000 -0.05871914 -0.07197788 3 0.00000000 0.00000000 0.00000000 -0.04150951 -0.04613166 4 0.00000000 0.00000000 0.00000000 -0.05096407 -0.06503907 5 -0.00019643 0.00000000 0.00000000 0.00000000 0.00000000 6 -0.00008900 0.00000000 0.00000000 0.00000000 0.00000000 7 0.00000000 0.00000000 0.00000000 -0.00040200 -0.00576213 8 0.00042530 0.00000000 0.00000000 0.00000000 0.00000000 9 0.00019270 0.00000000 0.00000000 0.00000000 0.00000000 10 0.00000000 0.00000000 0.00000000 -0.00003089 0.01360190 11 -0.00010791 0.00000000 0.00000000 0.00000000 0.00000000 12 -0.00004889 0.00000000 0.00000000 0.00000000 0.00000000 13 0.00000000 0.00000000 0.00000000 0.00006992 -0.00367284 14 0.00000016 -0.00012284 -1.01292036 0.43464657 -0.43034898 15 -0.00000016 -1.16961969 0.00014185 0.00000000 0.00000000 16 0.80799204 -0.00000009 0.00000015 0.00000000 0.00000000 17 -0.00000016 0.00012284 1.01292036 0.43464657 -0.43034898 18 0.36609414 -0.00000009 0.00000000 0.00000000 0.00000000 19 0.00000000 0.00000000 0.00000000 -0.86288817 0.86825323 20 -0.00000008 0.00005985 0.49351463 -0.21121410 0.20998664 21 0.00000008 0.56986161 -0.00006911 0.00000000 0.00000000 22 -0.39366990 0.00000005 -0.00000007 0.00000000 0.00000000 23 0.00000008 -0.00005985 -0.49351463 -0.21121410 0.20998664 24 -0.17836840 0.00000005 -0.00000000 0.00000000 0.00000000 25 0.00000000 0.00000000 0.00000000 0.42114630 -0.42300155 26 -0.00013808 0.00000000 0.00000000 0.00000000 0.00000000 27 -0.00002798 0.00000000 0.00000000 0.00000000 0.00000000 28 0.00000000 0.00000000 0.00000163 0.00007171 -0.00203180 29 -0.00006175 0.00000000 0.00000000 0.00000000 0.00000000 30 0.00000000 0.00000188 -0.00000000 0.00000000 0.00000000 31 -0.00006411 0.00000000 0.00000000 0.00000000 0.00000000 32 -0.00006256 0.00000000 0.00000000 0.00000000 0.00000000 33 0.00000000 -0.00000000 -0.00000163 0.00007171 -0.00203180 34 -0.00002905 0.00000000 0.00000000 0.00000000 0.00000000 35 0.00000000 0.00000000 0.00000000 0.00026517 -0.00470227 36 0.00000000 0.00000000 0.00000000 0.13035601 -0.15798353 37 0.00000000 0.00000000 0.00000000 -0.05866053 0.07202568 38 0.00000000 0.00000000 0.00000000 -0.04147196 0.04616546 39 0.00000000 0.00000000 0.00000000 -0.05091110 0.06508055 40 0.00020598 0.00000000 0.00000000 0.00000000 0.00000000 41 0.00009333 0.00000000 0.00000000 0.00000000 0.00000000 42 0.00000000 0.00000000 0.00000000 0.00039733 -0.00576244 43 -0.00044524 0.00000000 0.00000000 0.00000000 0.00000000 44 -0.00020173 0.00000000 0.00000000 0.00000000 0.00000000 45 0.00000000 0.00000000 0.00000000 0.00004190 0.01360181 46 0.00011337 0.00000000 0.00000000 0.00000000 0.00000000 47 0.00005137 0.00000000 0.00000000 0.00000000 0.00000000 48 0.00000000 0.00000000 0.00000000 -0.00007290 -0.00367278 49 -0.00000007 0.00003781 0.31188070 0.43499680 0.42999496 50 0.00000005 0.36012882 -0.00004367 0.00000000 0.00000000 51 0.76795532 -0.00000009 0.00000015 0.00000000 0.00000000 52 0.00000007 -0.00003781 -0.31188070 0.43499680 0.42999496 53 0.34795385 -0.00000009 0.00000000 0.00000000 0.00000000 54 0.00000000 0.00000000 0.00000000 -0.86359479 -0.86755041 55 0.00000003 -0.00001842 -0.15195440 -0.21138499 -0.20981461 56 -0.00000002 -0.17546183 0.00002128 0.00000000 0.00000000 57 -0.37416327 0.00000004 -0.00000007 0.00000000 0.00000000 58 -0.00000003 0.00001842 0.15195440 -0.21138499 -0.20981461 59 -0.16953011 0.00000004 -0.00000000 0.00000000 0.00000000 60 0.00000000 0.00000000 0.00000000 0.42149056 0.42265853 61 0.00014424 0.00000000 0.00000000 0.00000000 0.00000000 62 0.00002923 0.00000000 0.00000000 0.00000000 0.00000000 63 0.00000000 0.00000000 0.00000051 -0.00007335 -0.00203172 64 0.00006450 0.00000000 0.00000000 0.00000000 0.00000000 65 0.00000000 0.00000059 0.00000000 0.00000000 0.00000000 66 0.00006676 0.00000000 0.00000000 0.00000000 0.00000000 67 0.00006535 0.00000000 0.00000000 0.00000000 0.00000000 68 0.00000000 0.00000000 -0.00000051 -0.00007335 -0.00203172 69 0.00003025 0.00000000 0.00000000 0.00000000 0.00000000 70 0.00000000 0.00000000 0.00000000 -0.00026896 -0.00470201 61 62 63 64 65 1 -10.27920803 -10.22182645 -2.39397354 0.00000000 0.00000000 2 2.34671494 2.31493400 0.50082218 0.00000000 0.00000000 3 6.75180141 6.76928004 1.64256551 0.00000000 0.00000000 4 2.75065065 2.68690298 0.61131810 0.00000000 0.00000000 5 0.00000000 0.00000000 0.00000000 -0.72592899 0.64497049 6 0.00000000 0.00000000 0.00000000 -0.64497049 -0.72592900 7 -0.18893865 0.20253770 0.93643965 0.00000000 0.00000000 8 0.00000000 0.00000000 0.00000000 4.79806652 -4.26296696 9 0.00000000 0.00000000 0.00000000 4.26296696 4.79806652 10 1.37188277 -1.46778981 -6.21355817 0.00000000 0.00000000 11 0.00000000 0.00000000 0.00000000 -0.35485815 0.31528295 12 0.00000000 0.00000000 0.00000000 -0.31528295 -0.35485815 13 -0.08270690 0.08821842 0.45907902 0.00000000 0.00000000 14 0.40652703 0.39946191 0.10577720 0.00000000 0.00000000 15 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 16 0.00000000 0.00000000 0.00000000 -0.00006254 0.00005557 17 0.40652703 0.39946191 0.10577720 0.00000000 0.00000000 18 0.00000000 0.00000000 0.00000000 -0.00005557 -0.00006254 19 0.39672746 0.41049060 0.10398931 0.00000000 0.00000000 20 -0.66964651 -0.66620936 -0.16857857 0.00000000 0.00000000 21 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 22 0.00000000 0.00000000 0.00000000 0.00004974 -0.00004419 23 -0.66964651 -0.66620936 -0.16857857 0.00000000 0.00000000 24 0.00000000 0.00000000 0.00000000 0.00004419 0.00004974 25 -0.66106365 -0.67590495 -0.16686671 0.00000000 0.00000000 26 0.00000000 0.00000000 0.00000000 -2.69045566 2.39040529 27 0.00000000 0.00000000 0.00000000 -1.06902174 -1.20320835 28 -0.35202635 0.37659742 1.55911059 0.00000000 0.00000000 29 0.00000000 0.00000000 0.00000000 -1.20320835 1.06902174 30 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 31 0.00000000 0.00000000 0.00000000 -1.20320223 1.06901630 32 0.00000000 0.00000000 0.00000000 -2.39040529 -2.69045566 33 -0.35202635 0.37659742 1.55911059 0.00000000 0.00000000 34 0.00000000 0.00000000 0.00000000 -1.06901630 -1.20320223 35 -0.78560807 0.84033291 3.48665491 0.00000000 0.00000000 36 -10.27986616 10.22117208 -2.39393929 0.00000000 0.00000000 37 2.34686389 -2.31478452 0.50081486 0.00000000 0.00000000 38 6.75223742 -6.76885038 1.64254215 0.00000000 0.00000000 39 2.75082358 -2.68672782 0.61130940 0.00000000 0.00000000 40 0.00000000 0.00000000 0.00000000 -0.72600979 0.64504228 41 0.00000000 0.00000000 0.00000000 -0.64504228 -0.72600979 42 0.18892694 0.20255151 -0.93644549 0.00000000 0.00000000 43 0.00000000 0.00000000 0.00000000 4.79859958 -4.26344057 44 0.00000000 0.00000000 -0.00000000 4.26344057 4.79859958 45 -1.37179692 -1.46788901 6.21359552 0.00000000 0.00000000 46 0.00000000 0.00000000 0.00000000 -0.35489767 0.31531806 47 0.00000000 0.00000000 0.00000000 -0.31531806 -0.35489767 48 0.08270187 0.08822455 -0.45908194 0.00000000 0.00000000 49 0.40655277 -0.39943606 0.10577576 0.00000000 0.00000000 50 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 51 0.00000000 0.00000000 0.00000000 0.00006254 -0.00005556 52 0.40655277 -0.39943606 0.10577576 0.00000000 0.00000000 53 0.00000000 0.00000000 0.00000000 0.00005556 0.00006254 54 0.39675392 -0.41046537 0.10398781 0.00000000 0.00000000 55 -0.66968944 0.66616677 -0.16857622 0.00000000 0.00000000 56 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 57 0.00000000 0.00000000 0.00000000 -0.00004973 0.00004419 58 -0.66968944 0.66616677 -0.16857622 0.00000000 0.00000000 59 0.00000000 0.00000000 0.00000000 -0.00004419 -0.00004973 60 -0.66110721 0.67586290 -0.16686431 0.00000000 0.00000000 61 0.00000000 0.00000000 0.00000000 -2.69075445 2.39067076 62 0.00000000 0.00000000 0.00000000 -1.06914046 -1.20334197 63 0.35200426 0.37662281 -1.55911988 0.00000000 0.00000000 64 0.00000000 0.00000000 0.00000000 -1.20334197 1.06914046 65 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 66 0.00000000 0.00000000 0.00000000 -1.20333585 1.06913502 67 0.00000000 0.00000000 0.00000000 -2.39067076 -2.69075445 68 0.35200426 0.37662281 -1.55911988 0.00000000 0.00000000 69 0.00000000 0.00000000 0.00000000 -1.06913502 -1.20333585 70 0.78555880 0.84038958 -3.48667569 0.00000000 0.00000000 66 67 68 69 70 1 0.00000000 0.00000000 2.50324456 54.09749448 54.21109987 2 0.00000000 0.00000000 -0.49520461 -26.24266969 -26.25672384 3 0.00000000 0.00000000 -1.76751687 -31.82343232 -32.02668264 4 0.00000000 0.00000000 -0.60929733 -15.26648346 -15.17820751 5 -0.51677563 0.82631709 0.00000000 0.00000000 0.00000000 6 -0.82631709 -0.51677563 0.00000000 0.00000000 0.00000000 7 0.00000000 0.00000000 0.98638513 -0.07168752 0.09961534 8 3.40987498 -5.45234302 0.00000000 0.00000000 0.00000000 9 5.45234302 3.40987498 0.00000000 0.00000000 0.00000000 10 0.00000000 0.00000000 -6.37332074 0.26686266 -0.37156945 11 -0.25277278 0.40418019 0.00000000 0.00000000 0.00000000 12 -0.40418019 -0.25277278 0.00000000 0.00000000 0.00000000 13 0.00000000 0.00000000 0.48917045 -0.05879339 0.07847458 14 0.00000000 0.00000000 -0.11461226 3.50517114 3.51444796 15 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 16 0.00004391 -0.00007022 0.00000000 0.00000000 0.00000000 17 0.00000000 0.00000000 -0.11461226 3.50517114 3.51444796 18 0.00007022 0.00004391 0.00000000 0.00000000 0.00000000 19 0.00000000 0.00000000 -0.12044202 3.51192919 3.50630088 20 0.00000000 0.00000000 0.18176662 3.26594472 3.28057690 21 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 22 -0.00003495 0.00005588 0.00000000 0.00000000 0.00000000 23 0.00000000 0.00000000 0.18176662 3.26594472 3.28057690 24 -0.00005588 -0.00003495 0.00000000 0.00000000 0.00000000 25 0.00000000 0.00000000 0.18682300 3.25456135 3.29423332 26 -1.91133773 3.05620264 0.00000000 0.00000000 0.00000000 27 -1.36677537 -0.85477622 0.00000000 0.00000000 0.00000000 28 0.00000000 0.00000000 1.58960949 -0.05237571 0.07352186 29 -0.85477622 1.36677537 0.00000000 0.00000000 0.00000000 30 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 31 -0.85478041 1.36678207 0.00000000 0.00000000 0.00000000 32 -3.05620264 -1.91133773 0.00000000 0.00000000 0.00000000 33 0.00000000 0.00000000 1.58960949 -0.05237571 0.07352186 34 -1.36678207 -0.85478041 0.00000000 0.00000000 0.00000000 35 0.00000000 0.00000000 3.55531865 -0.11907947 0.16673281 36 0.00000000 0.00000000 -2.50324636 54.09766438 -54.21093034 37 0.00000000 0.00000000 0.49520474 -26.24275197 26.25664160 38 0.00000000 0.00000000 1.76751850 -31.82353270 32.02658291 39 0.00000000 0.00000000 0.60929762 -15.26653102 15.17815967 40 0.51671855 -0.82622583 0.00000000 0.00000000 0.00000000 41 0.82622583 0.51671855 0.00000000 0.00000000 0.00000000 42 0.00000000 0.00000000 0.98637905 0.07168721 0.09961557 43 -3.40949768 5.45173972 0.00000000 0.00000000 0.00000000 44 -5.45173972 -3.40949768 0.00000000 0.00000000 0.00000000 45 0.00000000 0.00000000 -6.37328015 -0.26686151 -0.37157027 46 0.25274488 -0.40413557 0.00000000 0.00000000 0.00000000 47 0.40413557 0.25274488 0.00000000 0.00000000 0.00000000 48 0.00000000 0.00000000 0.48916748 0.05879315 0.07847476 49 0.00000000 0.00000000 0.11461239 3.50518215 -3.51443698 50 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 51 0.00004392 -0.00007023 0.00000000 0.00000000 0.00000000 52 0.00000000 0.00000000 0.11461239 3.50518215 -3.51443698 53 0.00007023 0.00004392 0.00000000 0.00000000 0.00000000 54 0.00000000 0.00000000 0.12044216 3.51194017 -3.50628987 55 0.00000000 0.00000000 -0.18176683 3.26595500 -3.28056666 56 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 57 -0.00003495 0.00005589 0.00000000 0.00000000 0.00000000 58 0.00000000 0.00000000 -0.18176683 3.26595500 -3.28056666 59 -0.00005589 -0.00003495 0.00000000 0.00000000 0.00000000 60 0.00000000 0.00000000 -0.18682320 3.25457168 -3.29422312 61 1.91112616 -3.05586434 0.00000000 0.00000000 0.00000000 62 1.36662408 0.85468160 0.00000000 0.00000000 0.00000000 63 0.00000000 0.00000000 1.58959929 0.05237549 0.07352203 64 0.85468160 -1.36662408 0.00000000 0.00000000 0.00000000 65 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 66 0.85468579 -1.36663078 0.00000000 0.00000000 0.00000000 67 3.05586434 1.91112616 0.00000000 0.00000000 0.00000000 68 0.00000000 0.00000000 1.58959929 0.05237549 0.07352203 69 1.36663078 0.85468579 0.00000000 0.00000000 0.00000000 70 0.00000000 0.00000000 3.55529585 0.11907895 0.16673317 ----------------------------------------- UHF spin-down orbital coefficients ----------------------------------------- 1 2 3 4 5 1 -0.49844257 -0.53134814 0.07109596 -0.02260877 -0.06719926 2 -0.01701135 -0.01215933 -0.23983994 -0.26929110 0.03106684 3 0.56896972 0.53837599 1.96874788 2.25625856 -0.22955432 4 -0.61282036 -0.62474209 -1.15898740 -1.40535856 0.23667391 5 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 6 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 7 -0.01215516 0.01451846 -0.07878541 0.10581741 -0.57653955 8 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 9 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 10 0.04412113 -0.05272539 0.28687377 -0.38537369 2.09979932 11 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 12 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 13 -0.01941996 0.02299724 -0.13485017 0.18638398 -1.09646169 14 -0.00657251 -0.00607906 -0.01720897 -0.01902411 0.00075935 15 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 16 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 17 -0.00657251 -0.00607906 -0.01720897 -0.01902411 0.00075935 18 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 19 -0.00637673 -0.00630464 -0.01644344 -0.01997820 0.00089303 20 -0.05781425 -0.05462206 -0.21443299 -0.24759282 0.01733917 21 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 22 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 23 -0.05781425 -0.05462206 -0.21443299 -0.24759282 0.01733917 24 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 25 -0.05877714 -0.05352716 -0.21802284 -0.24306506 0.01693825 26 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 27 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 28 -0.00799581 0.00955925 -0.05171049 0.06932762 -0.37677280 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 -0.00799581 0.00955925 -0.05171049 0.06932762 -0.37677280 34 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 35 -0.01791785 0.02142037 -0.11578836 0.15522208 -0.84250953 36 -0.49844438 0.53134665 0.07109592 0.02260887 -0.06719924 37 -0.01701137 0.01215924 -0.23984070 0.26929029 0.03106671 38 0.56897120 -0.53837374 1.96875462 -2.25625230 -0.22955342 39 -0.61282211 0.62473977 -1.15899191 1.40535514 0.23667321 40 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 41 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 42 0.01215510 0.01451854 0.07878515 0.10581771 0.57654027 43 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 44 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 45 -0.04412092 -0.05272566 -0.28687282 -0.38537480 -2.09980193 46 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 47 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 48 0.01941985 0.02299738 0.13484975 0.18638449 1.09646321 49 -0.00657252 0.00607903 -0.01720903 0.01902406 0.00075935 50 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 51 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 52 -0.00657252 0.00607903 -0.01720903 0.01902406 0.00075935 53 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 54 -0.00637675 0.00630462 -0.01644351 0.01997815 0.00089303 55 -0.05781439 0.05462183 -0.21443373 0.24759213 0.01733908 56 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 57 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 58 -0.05781439 0.05462183 -0.21443373 0.24759213 0.01733908 59 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 60 -0.05877729 0.05352693 -0.21802356 0.24306436 0.01693818 61 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 62 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 63 0.00799578 0.00955930 0.05171032 0.06932782 0.37677327 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 0.00799578 0.00955930 0.05171032 0.06932782 0.37677327 69 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 70 0.01791776 0.02142048 0.11578797 0.15522253 0.84251057 6 7 8 9 10 1 0.00000000 0.00000000 0.00000000 0.00000000 -0.09468403 2 0.00000000 0.00000000 0.00000000 0.00000000 0.04600943 3 0.00000000 0.00000000 0.00000000 0.00000000 -0.32883852 4 0.00000000 0.00000000 0.00000000 0.00000000 0.36283729 5 -0.33059095 -0.45766853 -0.55675061 -0.06687449 0.00000000 6 -0.45766853 0.33059095 0.06687449 -0.55675061 0.00000000 7 0.00000000 0.00000000 0.00000000 0.00000000 0.52194948 8 1.20410429 1.66695620 2.02786719 0.24357869 0.00000000 9 1.66695620 -1.20410429 -0.24357869 2.02786719 0.00000000 10 0.00000000 0.00000000 0.00000000 0.00000000 -1.90113340 11 -0.64253026 -0.88951581 -1.08773325 -0.13065384 0.00000000 12 -0.88951581 0.64253026 0.13065384 -1.08773325 0.00000000 13 0.00000000 0.00000000 0.00000000 0.00000000 1.06594529 14 0.00000000 0.00000000 0.00000000 0.00000000 0.00059443 15 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 16 0.00001442 0.00001996 -0.00002195 -0.00000264 0.00000000 17 0.00000000 0.00000000 0.00000000 0.00000000 0.00059443 18 0.00001996 -0.00001442 0.00000264 -0.00002195 0.00000000 19 0.00000000 0.00000000 0.00000000 0.00000000 0.00136853 20 0.00000000 0.00000000 0.00000000 0.00000000 0.02465048 21 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 22 -0.00005954 -0.00008243 0.00008733 0.00001049 0.00000000 23 0.00000000 0.00000000 0.00000000 0.00000000 0.02465048 24 -0.00008243 0.00005954 -0.00001049 0.00008733 0.00000000 25 0.00000000 0.00000000 0.00000000 0.00000000 0.02123333 26 -0.48233536 -0.66774276 -0.81200295 -0.09753431 0.00000000 27 -0.29862364 0.21570693 0.04361867 -0.36313876 0.00000000 28 0.00000000 0.00000000 0.00000000 0.00000000 0.33945239 29 -0.21570693 -0.29862364 -0.36313876 -0.04361867 0.00000000 30 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 31 -0.21570953 -0.29862724 -0.36313483 -0.04361820 0.00000000 32 -0.66774276 0.48233536 0.09753431 -0.81200295 0.00000000 33 0.00000000 0.00000000 0.00000000 0.00000000 0.33945239 34 -0.29862724 0.21570953 0.04361820 -0.36313483 0.00000000 35 0.00000000 0.00000000 0.00000000 0.00000000 0.75888974 36 0.00000000 0.00000000 0.00000000 0.00000000 0.09468413 37 0.00000000 0.00000000 0.00000000 0.00000000 -0.04600942 38 0.00000000 0.00000000 0.00000000 0.00000000 0.32883848 39 0.00000000 0.00000000 0.00000000 0.00000000 -0.36283748 40 -0.33059866 -0.45767920 0.55673736 0.06687290 0.00000000 41 -0.45767920 0.33059866 -0.06687290 0.55673736 0.00000000 42 0.00000000 0.00000000 0.00000000 0.00000000 0.52194856 43 1.20413235 1.66699505 -2.02781891 -0.24357289 0.00000000 44 1.66699505 -1.20413235 0.24357289 -2.02781891 0.00000000 45 0.00000000 0.00000000 0.00000000 0.00000000 -1.90113004 46 -0.64254535 -0.88953670 1.08770755 0.13065076 0.00000000 47 -0.88953670 0.64254535 -0.13065076 1.08770755 0.00000000 48 0.00000000 0.00000000 0.00000000 0.00000000 1.06594362 49 0.00000000 0.00000000 0.00000000 0.00000000 -0.00059443 50 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 51 -0.00001442 -0.00001996 -0.00002195 -0.00000264 0.00000000 52 0.00000000 0.00000000 0.00000000 0.00000000 -0.00059443 53 -0.00001996 0.00001442 0.00000264 -0.00002195 0.00000000 54 0.00000000 0.00000000 0.00000000 0.00000000 -0.00136853 55 0.00000000 0.00000000 0.00000000 0.00000000 -0.02465047 56 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 57 0.00005953 0.00008241 0.00008734 0.00001049 0.00000000 58 0.00000000 0.00000000 0.00000000 0.00000000 -0.02465047 59 0.00008241 -0.00005953 -0.00001049 0.00008734 0.00000000 60 0.00000000 0.00000000 0.00000000 0.00000000 -0.02123329 61 -0.48234660 -0.66775832 0.81198362 0.09753198 0.00000000 62 -0.29863060 0.21571196 -0.04361763 0.36313011 0.00000000 63 0.00000000 0.00000000 0.00000000 0.00000000 0.33945179 64 -0.21571196 -0.29863060 0.36313011 0.04361763 0.00000000 65 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 66 -0.21571455 -0.29863419 0.36312619 0.04361716 0.00000000 67 -0.66775832 0.48234660 -0.09753198 0.81198362 0.00000000 68 0.00000000 0.00000000 0.00000000 0.00000000 0.33945179 69 -0.29863419 0.21571455 -0.04361716 0.36312619 0.00000000 70 0.00000000 0.00000000 0.00000000 0.00000000 0.75888840 11 12 13 14 15 1 -2.09809587 2.13421066 0.04977371 0.00000000 0.00000000 2 -0.89111625 0.92731629 0.08376511 0.00000000 0.00000000 3 4.61325865 -4.85041750 -0.24963590 0.00000000 0.00000000 4 -0.32861711 0.51220906 0.09318808 0.00000000 0.00000000 5 0.00000000 0.00000000 0.00000000 1.00475907 1.26707178 6 0.00000000 0.00000000 0.00000000 1.26707178 -1.00475907 7 -0.01690062 -0.03295352 -1.62101742 0.00000000 0.00000000 8 0.00000000 0.00000000 0.00000000 -3.79530657 -4.78614824 9 0.00000000 0.00000000 0.00000000 -4.78614824 3.79530657 10 0.06447386 0.12416634 6.11673834 0.00000000 0.00000000 11 0.00000000 0.00000000 0.00000000 0.70097700 0.88398124 12 0.00000000 0.00000000 0.00000000 0.88398124 -0.70097700 13 0.03928985 0.04579702 -1.11815843 0.00000000 0.00000000 14 -0.04487321 0.04410447 -0.00060932 0.00000000 0.00000000 15 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 16 0.00000000 0.00000000 0.00000000 -0.00008570 -0.00010807 17 -0.04487321 0.04410447 -0.00060932 0.00000000 0.00000000 18 0.00000000 0.00000000 0.00000000 -0.00010807 0.00008570 19 -0.04212943 0.04760584 -0.00004723 0.00000000 0.00000000 20 -0.69051750 0.72703302 0.02675567 0.00000000 0.00000000 21 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 22 0.00000000 0.00000000 0.00000000 0.00053597 0.00067589 23 -0.69051750 0.72703302 0.02675567 0.00000000 0.00000000 24 0.00000000 0.00000000 0.00000000 0.00067589 -0.00053597 25 -0.70520725 0.70836317 0.02357960 0.00000000 0.00000000 26 0.00000000 0.00000000 0.00000000 1.48349634 1.87079312 27 0.00000000 0.00000000 0.00000000 0.83664412 -0.66343973 28 -0.01188087 -0.02291874 -1.07133524 0.00000000 0.00000000 29 0.00000000 0.00000000 0.00000000 0.66343973 0.83664412 30 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 31 0.00000000 0.00000000 0.00000000 0.66344397 0.83664946 32 0.00000000 0.00000000 0.00000000 1.87079312 -1.48349634 33 -0.01188087 -0.02291874 -1.07133524 0.00000000 0.00000000 34 0.00000000 0.00000000 0.00000000 0.83664946 -0.66344397 35 -0.02701008 -0.05180893 -2.39559622 0.00000000 0.00000000 36 -2.09816347 -2.13414411 0.04977357 0.00000000 0.00000000 37 -0.89114566 -0.92728807 0.08376483 0.00000000 0.00000000 38 4.61341241 4.85027129 -0.24963500 0.00000000 0.00000000 39 -0.32863344 -0.51219871 0.09318770 0.00000000 0.00000000 40 0.00000000 0.00000000 0.00000000 1.00479136 1.26711251 41 0.00000000 0.00000000 0.00000000 1.26711251 -1.00479136 42 0.01689963 -0.03295409 1.62102098 0.00000000 0.00000000 43 0.00000000 0.00000000 0.00000000 -3.79542861 -4.78630214 44 0.00000000 0.00000000 0.00000000 -4.78630214 3.79542861 45 -0.06447012 0.12416849 -6.11675187 0.00000000 0.00000000 46 0.00000000 0.00000000 0.00000000 0.70099963 0.88400978 47 0.00000000 0.00000000 0.00000000 0.88400978 -0.70099963 48 -0.03928835 0.04579822 1.11816105 0.00000000 0.00000000 49 -0.04487460 -0.04410304 -0.00060932 0.00000000 0.00000000 50 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 51 0.00000000 0.00000000 0.00000000 0.00008570 0.00010807 52 -0.04487460 -0.04410304 -0.00060932 0.00000000 0.00000000 53 0.00000000 0.00000000 0.00000000 0.00010807 -0.00008570 54 -0.04213094 -0.04760450 -0.00004723 0.00000000 0.00000000 55 -0.69054051 -0.72701110 0.02675559 0.00000000 0.00000000 56 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 57 0.00000000 0.00000000 0.00000000 -0.00053599 -0.00067593 58 -0.69054051 -0.72701110 0.02675559 0.00000000 0.00000000 59 0.00000000 0.00000000 0.00000000 -0.00067593 0.00053599 60 -0.70522967 -0.70834077 0.02357946 0.00000000 0.00000000 61 0.00000000 0.00000000 0.00000000 1.48354402 1.87085324 62 0.00000000 0.00000000 0.00000000 0.83667100 -0.66346105 63 0.01188018 -0.02291913 1.07133759 0.00000000 0.00000000 64 0.00000000 0.00000000 0.00000000 0.66346105 0.83667100 65 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 66 0.00000000 0.00000000 0.00000000 0.66346529 0.83667635 67 0.00000000 0.00000000 0.00000000 1.87085324 -1.48354402 68 0.01188018 -0.02291913 1.07133759 0.00000000 0.00000000 69 0.00000000 0.00000000 0.00000000 0.83667635 -0.66346529 70 0.02700851 -0.05180983 2.39560147 0.00000000 0.00000000 16 17 18 19 20 1 0.00000000 0.00000000 0.05684152 0.00000000 0.00000000 2 0.00000000 0.00000000 0.12389518 0.00000000 0.00000000 3 0.00000000 0.00000000 -0.34869692 0.00000000 0.00000000 4 0.00000000 0.00000000 0.15251415 0.00000000 0.00000000 5 0.35280679 -1.57733814 0.00000000 -0.00009954 0.00172818 6 1.57733814 0.35280679 0.00000000 -0.00172818 -0.00009954 7 0.00000000 0.00000000 1.61141466 0.00000000 0.00000000 8 -1.33296786 5.95946884 0.00000000 0.00038274 -0.00664468 9 -5.95946884 -1.33296786 0.00000000 0.00664468 0.00038274 10 0.00000000 0.00000000 -6.09921406 0.00000000 0.00000000 11 0.24684379 -1.10359592 0.00000000 -0.00008243 0.00143109 12 1.10359592 0.24684379 0.00000000 -0.00143109 -0.00008243 13 0.00000000 0.00000000 1.15867892 0.00000000 0.00000000 14 0.00000000 0.00000000 -0.00328264 0.00000000 0.00000000 15 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 16 0.00003233 -0.00014454 0.00000000 -0.00605495 0.10512001 17 0.00000000 0.00000000 -0.00328264 0.00000000 0.00000000 18 0.00014454 0.00003233 0.00000000 -0.10512001 -0.00605495 19 0.00000000 0.00000000 0.00291091 0.00000000 0.00000000 20 0.00000000 0.00000000 0.04672126 0.00000000 0.00000000 21 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 22 -0.00020632 0.00092241 0.00000000 0.04353630 -0.75583420 23 0.00000000 0.00000000 0.04672126 -0.00000000 -0.00000000 24 -0.00092241 -0.00020632 0.00000000 0.75583420 0.04353630 25 0.00000000 0.00000000 0.00621705 0.00000000 0.00000000 26 0.52080253 -2.32841807 0.00000000 -0.00014476 0.00251320 27 1.04130022 0.23290997 0.00000000 -0.00112394 -0.00006474 28 0.00000000 0.00000000 1.06210099 0.00000000 0.00000000 29 0.23290997 -1.04130022 0.00000000 -0.00006474 0.00112394 30 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 31 0.23290830 -1.04129275 0.00000000 -0.00006453 0.00112031 32 2.32841807 0.52080253 0.00000000 -0.00251320 -0.00014476 33 0.00000000 0.00000000 1.06210099 0.00000000 0.00000000 34 1.04129275 0.23290830 0.00000000 -0.00112031 -0.00006453 35 0.00000000 0.00000000 2.37463666 0.00000000 0.00000000 36 0.00000000 0.00000000 -0.05684153 0.00000000 0.00000000 37 0.00000000 0.00000000 -0.12389533 0.00000000 0.00000000 38 0.00000000 0.00000000 0.34869732 0.00000000 0.00000000 39 0.00000000 0.00000000 -0.15251435 0.00000000 0.00000000 40 -0.35279541 1.57728728 0.00000000 -0.00009763 0.00169495 41 -1.57728728 -0.35279541 0.00000000 -0.00169495 -0.00009763 42 0.00000000 0.00000000 1.61141096 0.00000000 0.00000000 43 1.33292490 -5.95927678 0.00000000 0.00037538 -0.00651692 44 5.95927678 1.33292490 0.00000000 0.00651692 0.00037538 45 0.00000000 0.00000000 -6.09920017 0.00000000 0.00000000 46 -0.24683587 1.10356049 0.00000000 -0.00008087 0.00140399 47 -1.10356049 -0.24683587 0.00000000 -0.00140399 -0.00008087 48 0.00000000 0.00000000 1.15867643 0.00000000 0.00000000 49 0.00000000 0.00000000 0.00328264 0.00000000 0.00000000 50 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 51 0.00003233 -0.00014454 0.00000000 0.00616423 -0.10701721 52 0.00000000 0.00000000 0.00328264 0.00000000 0.00000000 53 0.00014454 0.00003233 0.00000000 0.10701721 0.00616423 54 0.00000000 0.00000000 -0.00291090 0.00000000 0.00000000 55 0.00000000 0.00000000 -0.04672126 0.00000000 0.00000000 56 0.00000000 0.00000000 0.00000000 0.00000000 -0.00000000 57 -0.00020631 0.00092237 0.00000000 -0.04432204 0.76947556 58 0.00000000 0.00000000 -0.04672126 0.00000000 -0.00000000 59 -0.00092237 -0.00020631 0.00000000 -0.76947556 -0.04432204 60 0.00000000 0.00000000 -0.00621717 0.00000000 0.00000000 61 -0.52078574 2.32834298 0.00000000 -0.00014198 0.00246488 62 -1.04126664 -0.23290246 0.00000000 -0.00110233 -0.00006349 63 0.00000000 0.00000000 1.06209855 0.00000000 0.00000000 64 -0.23290246 1.04126664 0.00000000 -0.00006349 0.00110233 65 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 66 -0.23290079 1.04125917 0.00000000 -0.00006328 0.00109864 67 -2.32834298 -0.52078574 0.00000000 -0.00246488 -0.00014198 68 0.00000000 0.00000000 1.06209855 0.00000000 0.00000000 69 -1.04125917 -0.23290079 0.00000000 -0.00109864 -0.00006328 70 0.00000000 0.00000000 2.37463120 0.00000000 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 -0.00170855 0.00071858 0.00000000 0.00000000 0.00000000 6 -0.00071858 -0.00170855 0.00000000 0.00000000 0.00000000 7 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 8 0.00656997 -0.00276319 0.00000000 0.00000000 0.00000000 9 0.00276319 0.00656997 0.00000000 0.00000000 0.00000000 10 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 11 -0.00139249 0.00058565 0.00000000 0.00000000 0.00000000 12 -0.00058565 -0.00139249 0.00000000 0.00000000 0.00000000 13 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 14 0.00000000 0.00000000 -0.06307943 0.00015565 -0.11381517 15 0.00000000 -0.00000000 -0.00017973 -0.07283785 -0.00044860 16 0.09881062 -0.04155772 0.00000000 0.00000000 0.00000000 17 0.00000000 0.00000000 0.06307943 -0.00015565 0.11381517 18 0.04155772 0.09881062 -0.00000000 0.00000000 0.00000000 19 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 20 0.00000000 0.00000000 0.45355531 -0.00111917 0.81835680 21 0.00000000 0.00000000 0.00129228 0.52372054 0.00322550 22 -0.71047144 0.29880968 0.00000000 0.00000000 0.00000000 23 -0.00000000 -0.00000000 -0.45355531 0.00111917 -0.81835680 24 -0.29880968 -0.71047144 0.00000000 -0.00000000 -0.00000000 25 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 26 -0.00248497 0.00104513 0.00000000 0.00000000 0.00000000 27 -0.00046739 -0.00111131 0.00000000 0.00000000 0.00000000 28 0.00000000 0.00000000 0.00000119 -0.00000000 0.00000215 29 -0.00111131 0.00046739 0.00000000 0.00000000 0.00000000 30 0.00000000 0.00000000 0.00000000 0.00000138 0.00000001 31 -0.00111471 0.00046882 0.00000000 0.00000000 0.00000000 32 -0.00104513 -0.00248497 0.00000000 0.00000000 0.00000000 33 0.00000000 0.00000000 -0.00000119 0.00000000 -0.00000215 34 -0.00046882 -0.00111471 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 0.00173668 -0.00073041 0.00000000 0.00000000 0.00000000 41 0.00073041 0.00173668 0.00000000 0.00000000 0.00000000 42 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 43 -0.00667813 0.00280868 0.00000000 0.00000000 0.00000000 44 -0.00280868 -0.00667813 0.00000000 0.00000000 0.00000000 45 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 46 0.00141581 -0.00059546 0.00000000 0.00000000 0.00000000 47 0.00059546 0.00141581 0.00000000 0.00000000 0.00000000 48 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 49 0.00000000 -0.00000000 -0.11381548 0.00028084 0.06307924 50 0.00000000 0.00000000 -0.00032429 -0.13142280 0.00024862 51 0.09705888 -0.04082097 0.00000000 0.00000000 0.00000000 52 0.00000000 0.00000000 0.11381548 -0.00028084 -0.06307924 53 0.04082097 0.09705888 -0.00000000 0.00000000 0.00000000 54 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 55 0.00000000 0.00000000 0.81835907 -0.00201932 -0.45355404 56 0.00000000 -0.00000000 0.00233172 0.94495967 -0.00178765 57 -0.69787610 0.29351234 -0.00000000 0.00000000 0.00000000 58 -0.00000000 -0.00000000 -0.81835907 0.00201932 0.45355404 59 -0.29351234 -0.69787610 0.00000000 -0.00000000 0.00000000 60 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 61 0.00252587 -0.00106233 0.00000000 0.00000000 0.00000000 62 0.00047509 0.00112961 0.00000000 0.00000000 0.00000000 63 0.00000000 0.00000000 -0.00000215 0.00000001 0.00000119 64 0.00112961 -0.00047509 0.00000000 0.00000000 0.00000000 65 0.00000000 0.00000000 -0.00000001 -0.00000248 0.00000000 66 0.00113294 -0.00047649 0.00000000 0.00000000 0.00000000 67 0.00106233 0.00252587 0.00000000 0.00000000 0.00000000 68 0.00000000 0.00000000 0.00000215 -0.00000001 -0.00000119 69 0.00047649 0.00113294 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 0.00990676 0.00771618 1.25526563 1.25992969 2 0.00000000 -0.04471472 -0.06144275 -0.21424647 -0.18384239 3 0.00000000 0.05771325 0.09648547 -4.16307622 -4.28821688 4 0.00000000 -0.03853271 -0.06234526 0.28708426 0.39618636 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 -0.00364430 -0.05424555 -0.02274678 0.02517009 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 0.01440985 0.20788997 0.10534303 -0.12632342 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 -0.00261003 -0.04525649 -0.05075068 0.06715378 14 0.00038849 0.05488843 -0.05087796 0.08721889 0.08788112 15 -0.13142244 0.00000000 0.00000000 0.00000000 0.00000000 16 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 17 -0.00038849 0.05488843 -0.05087796 0.08721889 0.08788112 18 -0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 19 0.00000000 -0.10439192 0.10825009 0.08831887 0.08658524 20 -0.00279336 -0.38204518 0.37900451 1.32347000 1.32222191 21 0.94495705 0.00000000 0.00000000 0.00000000 0.00000000 22 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 23 0.00279336 -0.38204518 0.37900451 1.32347000 1.32222191 24 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 25 0.00000000 0.76364946 -0.76605012 1.30327188 1.34679929 26 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 27 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 28 -0.00000001 -0.00230919 -0.03539206 -0.01376478 0.01446682 29 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 30 0.00000249 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 0.00000001 -0.00230919 -0.03539206 -0.01376478 0.01446682 34 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 35 0.00000000 -0.00519654 -0.07907286 -0.02949708 0.03079028 36 0.00000000 0.00990563 -0.00771768 1.25533708 -1.25985832 37 0.00000000 -0.04470556 0.06144941 -0.21425681 0.18383013 38 0.00000000 0.05769884 -0.09649404 -4.16331976 4.28798056 39 0.00000000 -0.03852343 0.06235101 0.28710682 -0.39617011 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 0.00363637 -0.05424591 0.02274531 0.02517136 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 -0.01437947 0.20789140 -0.10533574 -0.12632932 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 0.00260339 -0.04525676 0.05074685 0.06715664 49 -0.00021532 0.05489601 0.05086977 0.08722389 -0.08787617 50 0.07283763 0.00000000 0.00000000 0.00000000 0.00000000 51 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 52 0.00021532 0.05489601 0.05086977 0.08722389 -0.08787617 53 -0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 54 0.00000000 -0.10440804 -0.10823453 0.08832379 -0.08658023 55 0.00154816 -0.38210165 -0.37894758 1.32354509 -1.32214678 56 -0.52371908 0.00000000 0.00000000 0.00000000 0.00000000 57 -0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 58 -0.00154816 -0.38210165 -0.37894758 1.32354509 -1.32214678 59 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 60 0.00000000 0.76376363 0.76593630 1.30334837 -1.34672530 61 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 62 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 63 -0.00000000 0.00230402 -0.03539229 0.01376393 0.01446759 64 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 65 0.00000138 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 0.00000000 0.00230402 -0.03539229 0.01376393 0.01446759 69 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 70 0.00000000 0.00518499 -0.07907334 0.02949528 0.03079192 31 32 33 34 35 1 -0.03768973 0.00000000 0.00000000 0.00000000 0.00000000 2 0.06035380 0.00000000 0.00000000 0.00000000 0.00000000 3 -0.15240254 0.00000000 0.00000000 0.00000000 0.00000000 4 0.07726603 0.00000000 0.00000000 0.00000000 0.00000000 5 0.00000000 -2.27923918 -1.77775022 -1.30918955 -2.58223020 6 0.00000000 -1.77775022 2.27923918 -2.58223019 1.30918955 7 -2.87018680 0.00000000 0.00000000 0.00000000 0.00000000 8 0.00000000 7.09676299 5.53529970 4.07691630 8.04126215 9 0.00000000 5.53529970 -7.09676299 8.04126215 -4.07691630 10 8.93175614 0.00000000 0.00000000 0.00000000 0.00000000 11 0.00000000 -0.71352416 -0.55653121 -0.41090671 -0.81046759 12 0.00000000 -0.55653121 0.71352416 -0.81046759 0.41090671 13 -0.88902775 0.00000000 0.00000000 0.00000000 0.00000000 14 -0.00121117 0.00000000 0.00000000 0.00000000 0.00000000 15 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 16 0.00000000 0.00001721 0.00001342 -0.00001214 -0.00002395 17 -0.00121117 0.00000000 0.00000000 0.00000000 0.00000000 18 0.00000000 0.00001342 -0.00001721 -0.00002395 0.00001214 19 -0.00103572 0.00000000 0.00000000 0.00000000 0.00000000 20 0.03787922 0.00000000 0.00000000 0.00000000 0.00000000 21 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 22 0.00000000 0.00006368 0.00004967 -0.00003661 -0.00007222 23 0.03787922 0.00000000 0.00000000 0.00000000 0.00000000 24 0.00000000 0.00004967 -0.00006368 -0.00007222 0.00003661 25 0.03799362 0.00000000 0.00000000 0.00000000 0.00000000 26 0.00000000 -3.41923127 -2.66691587 -1.96360315 -3.87298794 27 0.00000000 -1.19268104 1.52912671 -1.73205286 0.87815002 28 -1.92743843 0.00000000 0.00000000 0.00000000 0.00000000 29 0.00000000 -1.52912671 -1.19268104 -0.87815002 -1.73205286 30 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 31 0.00000000 -1.52914337 -1.19269403 -0.87814038 -1.73203383 32 0.00000000 -2.66691587 3.41923127 -3.87298794 1.96360315 33 -1.92743843 0.00000000 0.00000000 0.00000000 0.00000000 34 0.00000000 -1.19269403 1.52914337 -1.73203383 0.87814038 35 -4.30986485 0.00000000 0.00000000 0.00000000 0.00000000 36 -0.03768961 0.00000000 0.00000000 0.00000000 0.00000000 37 0.06035353 0.00000000 0.00000000 0.00000000 0.00000000 38 -0.15240183 0.00000000 0.00000000 0.00000000 0.00000000 39 0.07726568 0.00000000 0.00000000 0.00000000 0.00000000 40 0.00000000 -2.27933271 -1.77782317 1.30913602 2.58212461 41 0.00000000 -1.77782317 2.27933271 2.58212461 -1.30913602 42 2.87019524 0.00000000 0.00000000 0.00000000 0.00000000 43 0.00000000 7.09705425 5.53552688 -4.07674961 -8.04093337 44 0.00000000 5.53552688 -7.09705425 -8.04093337 4.07674961 45 -8.93178243 0.00000000 0.00000000 0.00000000 0.00000000 46 0.00000000 -0.71355353 -0.55655411 0.41088995 0.81043455 47 0.00000000 -0.55655411 0.71355353 0.81043455 -0.41088995 48 0.88903048 0.00000000 0.00000000 0.00000000 0.00000000 49 -0.00121116 0.00000000 0.00000000 0.00000000 0.00000000 50 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 51 0.00000000 -0.00001721 -0.00001342 -0.00001214 -0.00002395 52 -0.00121116 0.00000000 0.00000000 0.00000000 0.00000000 53 0.00000000 -0.00001342 0.00001721 -0.00002395 0.00001214 54 -0.00103571 0.00000000 0.00000000 0.00000000 0.00000000 55 0.03787907 0.00000000 0.00000000 0.00000000 0.00000000 56 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 57 0.00000000 -0.00006368 -0.00004967 -0.00003662 -0.00007222 58 0.03787907 0.00000000 0.00000000 0.00000000 0.00000000 59 0.00000000 -0.00004967 0.00006368 -0.00007222 0.00003662 60 0.03799344 0.00000000 0.00000000 0.00000000 0.00000000 61 0.00000000 -3.41937154 -2.66702527 1.96352282 3.87282951 62 0.00000000 -1.19272996 1.52918944 1.73198201 -0.87811410 63 1.92744406 0.00000000 0.00000000 0.00000000 0.00000000 64 0.00000000 -1.52918944 -1.19272996 0.87811410 1.73198201 65 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 66 0.00000000 -1.52920609 -1.19274295 0.87810445 1.73196298 67 0.00000000 -2.66702527 3.41937154 3.87282951 -1.96352282 68 1.92744406 0.00000000 0.00000000 0.00000000 0.00000000 69 0.00000000 -1.19274295 1.52920609 1.73196298 -0.87810445 70 4.30987744 0.00000000 0.00000000 0.00000000 0.00000000 36 37 38 39 40 1 0.06695580 0.00000000 0.00000000 0.00000000 0.00000000 2 -0.09697119 0.00000000 0.00000000 0.00000000 0.00000000 3 0.23077163 0.00000000 0.00000000 0.00000000 0.00000000 4 -0.12957736 0.00000000 0.00000000 0.00000000 0.00000000 5 0.00000000 -0.00012934 0.00003141 -0.00000142 0.00000058 6 0.00000000 -0.00003141 -0.00012934 -0.00000058 -0.00000142 7 -2.93770269 0.00000000 0.00000000 0.00000000 0.00000000 8 0.00000000 0.00039702 -0.00009642 0.00000563 -0.00000230 9 0.00000000 0.00009642 0.00039702 0.00000230 0.00000563 10 9.16152044 0.00000000 0.00000000 0.00000000 0.00000000 11 0.00000000 -0.00006117 0.00001486 -0.00000059 0.00000024 12 0.00000000 -0.00001486 -0.00006117 -0.00000024 -0.00000059 13 -0.94642303 0.00000000 0.00000000 0.00000000 0.00000000 14 0.00248883 0.00000000 0.00000000 0.00000000 0.00000000 15 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 16 0.00000000 -0.00000001 0.00000000 -0.00000378 0.00000154 17 0.00248883 0.00000000 0.00000000 0.00000000 0.00000000 18 0.00000000 -0.00000000 -0.00000001 -0.00000154 -0.00000378 19 0.00165618 0.00000000 0.00000000 0.00000000 0.00000000 20 -0.05557139 0.00000000 0.00000000 0.00000000 0.00000000 21 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 22 0.00000000 -0.00000000 0.00000000 0.00000537 -0.00000219 23 -0.05557139 0.00000000 0.00000000 0.00000000 0.00000000 24 0.00000000 -0.00000000 -0.00000000 0.00000219 0.00000537 25 -0.05908330 0.00000000 0.00000000 0.00000000 0.00000000 26 0.00000000 -0.00029494 0.00007162 0.56692013 -0.23151244 27 0.00000000 -0.00003203 -0.00013190 0.10353562 0.25353465 28 -1.96732828 0.00000000 0.00000000 0.00000000 -0.00000000 29 0.00000000 -0.00013190 0.00003203 0.25353466 -0.10353562 30 0.00000000 -0.00000000 -0.00000000 -0.00000000 -0.00000000 31 0.00000000 0.00013485 -0.00003274 -1.01414348 0.41414446 32 0.00000000 -0.00007163 -0.00029495 0.23151244 0.56692014 33 -1.96732828 -0.00000000 -0.00000000 -0.00000000 0.00000000 34 0.00000000 0.00003276 0.00013486 -0.41414446 -1.01414348 35 -4.39803729 0.00000000 0.00000000 0.00000000 0.00000000 36 -0.06695587 0.00000000 0.00000000 0.00000000 0.00000000 37 0.09697136 0.00000000 0.00000000 0.00000000 0.00000000 38 -0.23077204 0.00000000 0.00000000 0.00000000 0.00000000 39 0.12957757 0.00000000 0.00000000 0.00000000 0.00000000 40 0.00000000 0.00000144 -0.00000035 0.00012322 -0.00005032 41 0.00000000 0.00000035 0.00000144 0.00005032 0.00012322 42 -2.93769450 0.00000000 0.00000000 0.00000000 0.00000000 43 0.00000000 -0.00000575 0.00000140 -0.00037824 0.00015446 44 0.00000000 -0.00000140 -0.00000575 -0.00015446 -0.00037824 45 9.16149495 0.00000000 0.00000000 0.00000000 0.00000000 46 0.00000000 0.00000059 -0.00000014 0.00005828 -0.00002380 47 0.00000000 0.00000014 0.00000059 0.00002380 0.00005828 48 -0.94642050 0.00000000 0.00000000 0.00000000 0.00000000 49 -0.00248884 0.00000000 0.00000000 0.00000000 0.00000000 50 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 51 0.00000000 -0.00000396 0.00000096 -0.00000001 0.00000000 52 -0.00248884 0.00000000 0.00000000 0.00000000 0.00000000 53 0.00000000 -0.00000096 -0.00000396 -0.00000000 -0.00000001 54 -0.00165619 0.00000000 0.00000000 0.00000000 0.00000000 55 0.05557148 0.00000000 0.00000000 0.00000000 0.00000000 56 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 57 0.00000000 0.00000562 -0.00000136 -0.00000000 0.00000000 58 0.05557148 0.00000000 0.00000000 0.00000000 0.00000000 59 0.00000000 0.00000136 0.00000562 -0.00000000 -0.00000000 60 0.05908339 0.00000000 0.00000000 0.00000000 0.00000000 61 0.00000000 -0.59507311 0.14451481 0.00005369 -0.00002193 62 0.00000000 -0.06462905 -0.26612507 0.00000980 0.00002401 63 -1.96732276 -0.00000000 0.00000000 -0.00000000 0.00000000 64 0.00000000 -0.26612506 0.06462905 0.00002401 -0.00000980 65 0.00000000 -0.00000000 -0.00000000 0.00000000 -0.00000000 66 0.00000000 1.06450519 -0.25851742 0.00027814 -0.00011358 67 0.00000000 -0.14451481 -0.59507311 0.00002192 0.00005368 68 -1.96732276 0.00000000 -0.00000000 0.00000000 -0.00000000 69 0.00000000 0.25851742 1.06450519 0.00011360 0.00027815 70 -4.39802496 0.00000000 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 -0.00000000 0.00000000 0.00000279 0.00000000 0.00000000 15 0.00000000 0.00000000 -0.00000000 0.00000322 0.00000000 16 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 17 0.00000000 0.00000000 -0.00000279 -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 0.00000000 0.00000000 -0.00000383 -0.00000000 0.00000000 21 0.00000000 0.00000000 0.00000001 -0.00000443 0.00000000 22 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 23 0.00000000 0.00000000 0.00000383 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 -0.00000000 -0.00000000 0.00000000 0.00000003 27 -0.00000000 0.00000000 0.00000000 0.00000000 -0.00000001 28 0.00000005 -0.00000001 0.86602475 0.00106027 -0.00000000 29 -0.00000000 -0.00000000 0.00000000 -0.00000000 -0.00000004 30 -0.00000000 -0.00000008 -0.00122429 0.99999925 -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 -0.00000005 0.00000001 -0.86602475 -0.00106027 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 0.00000278 0.00000000 -0.00000000 0.00000000 0.00000000 50 0.00000000 -0.00000321 0.00000000 -0.00000000 0.00000000 51 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 52 -0.00000278 -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 -0.00000382 -0.00000000 0.00000000 0.00000000 0.00000000 56 -0.00000000 0.00000442 0.00000000 -0.00000000 0.00000000 57 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 58 0.00000382 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 -0.00000000 0.00000000 0.00000000 0.79032733 62 0.00000000 -0.00000000 -0.00000000 -0.00000000 0.02625304 63 -0.86602540 -0.00005199 0.00000005 -0.00000000 0.00000000 64 -0.00000000 0.00000000 0.00000000 -0.00000000 -1.06033517 65 -0.00006003 1.00000000 0.00000001 0.00000008 0.00000000 66 -0.00000000 0.00000000 -0.00000000 0.00000000 -0.00000022 67 -0.00000000 -0.00000000 0.00000000 0.00000000 -0.01956786 68 0.86602540 0.00005199 -0.00000005 0.00000000 -0.00000000 69 0.00000000 0.00000000 -0.00000000 0.00000000 0.00000001 70 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 46 47 48 49 50 1 0.00000000 0.00000000 0.00000000 -0.01670195 0.01961233 2 0.00000000 0.00000000 0.00000000 0.01029737 -0.01250068 3 0.00000000 0.00000000 0.00000000 -0.00260007 0.00465349 4 0.00000000 0.00000000 0.00000000 0.00923106 -0.01205904 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 -0.00020231 -0.00276635 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 0.00073535 0.00866725 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 -0.00021524 -0.00149035 14 0.00000000 0.00000000 0.00000000 -0.00056148 0.00070615 15 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 16 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 17 0.00000000 0.00000000 0.00000000 -0.00056148 0.00070615 18 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 19 0.00000000 0.00000000 0.00000000 -0.00062086 0.00061607 20 0.00000000 0.00000000 0.00000000 0.00191773 -0.00243188 21 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 22 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 23 0.00000000 0.00000000 0.00000000 0.00191773 -0.00243188 24 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 25 0.00000000 0.00000000 0.00000000 0.00188101 -0.00249154 26 0.00000001 0.78892574 0.05095464 0.00000000 0.00000000 27 -0.00000003 0.06836282 -1.05845473 0.00000000 0.00000000 28 -0.00000000 0.00000000 0.00000000 0.47155911 0.47527226 29 -0.00000001 -1.05845473 -0.06836282 0.00000000 0.00000000 30 -0.00000000 -0.00000000 0.00000000 0.00000000 0.00000000 31 0.00000000 -0.00000022 -0.00000001 0.00000000 0.00000000 32 0.00000002 -0.05095464 0.78892574 0.00000000 0.00000000 33 0.00000000 -0.00000000 -0.00000000 0.47155911 0.47527226 34 0.00000000 0.00000001 -0.00000022 0.00000000 0.00000000 35 0.00000000 0.00000000 0.00000000 -0.70346900 -0.71483614 36 0.00000000 0.00000000 0.00000000 -0.01648270 -0.01979695 37 0.00000000 0.00000000 0.00000000 0.01015764 0.01261448 38 0.00000000 0.00000000 0.00000000 -0.00254813 -0.00468212 39 0.00000000 0.00000000 0.00000000 0.00909632 0.01216100 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 0.00023308 -0.00276392 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 -0.00083175 0.00865853 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 0.00023181 -0.00148786 49 0.00000000 0.00000000 0.00000000 -0.00055360 -0.00071235 50 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 51 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 52 0.00000000 0.00000000 0.00000000 -0.00055360 -0.00071235 53 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 54 0.00000000 0.00000000 0.00000000 -0.00061396 -0.00062295 55 0.00000000 0.00000000 0.00000000 0.00189056 0.00245306 56 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 57 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 58 0.00000000 0.00000000 0.00000000 0.00189056 0.00245306 59 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 60 0.00000000 0.00000000 0.00000000 0.00185316 0.00251233 61 0.01956786 -0.00000003 -0.00000001 0.00000000 0.00000000 62 -1.06033516 0.00000001 0.00000003 0.00000000 0.00000000 63 -0.00000000 0.00000000 0.00000000 -0.47681802 0.46999605 64 -0.02625304 0.00000004 0.00000001 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 0.79032734 -0.00000000 -0.00000002 -0.00000000 0.00000000 68 0.00000000 -0.00000000 -0.00000000 -0.47681802 0.46999605 69 -0.00000022 -0.00000000 0.00000000 0.00000000 0.00000000 70 0.00000000 0.00000000 0.00000000 0.71137905 -0.70696477 51 52 53 54 55 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 -0.00002809 -0.00021065 -0.00002497 -0.00020975 0.00000000 6 -0.00021065 0.00002809 -0.00020975 0.00002497 0.00000000 7 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 8 0.00005882 0.00044110 0.00005453 0.00045810 0.00000000 9 0.00044110 -0.00005882 0.00045810 -0.00005453 0.00000000 10 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 11 -0.00001597 -0.00011974 -0.00001357 -0.00011399 0.00000000 12 -0.00011974 0.00001597 -0.00011399 0.00001357 0.00000000 13 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 14 0.00000000 0.00000000 0.00000001 0.00000001 -0.00184058 15 -0.00000000 -0.00000000 0.00000000 -0.00000000 -0.19529539 16 -0.10939552 -0.82042481 0.10648877 0.89460387 0.00000000 17 0.00000000 -0.00000000 -0.00000001 -0.00000001 0.00184058 18 -0.82042481 0.10939552 0.89460388 -0.10648877 0.00000000 19 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 20 0.00000000 -0.00000000 -0.00000000 -0.00000000 0.00089267 21 0.00000000 0.00000000 0.00000000 0.00000000 0.09471726 22 0.05305621 0.39790143 -0.05164653 -0.43387848 -0.00000000 23 0.00000000 0.00000000 0.00000000 0.00000000 -0.00089267 24 0.39790143 -0.05305622 -0.43387849 0.05164653 -0.00000000 25 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 26 -0.00001832 -0.00013739 -0.00001794 -0.00015074 0.00000000 27 -0.00006144 0.00000819 -0.00006741 0.00000802 0.00000000 28 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 29 -0.00000819 -0.00006144 -0.00000802 -0.00006741 0.00000000 30 0.00000000 0.00000000 0.00000000 0.00000000 0.00000036 31 -0.00000784 -0.00005881 -0.00000837 -0.00007029 0.00000000 32 -0.00013739 0.00001832 -0.00015074 0.00001794 0.00000000 33 0.00000000 0.00000000 0.00000000 0.00000000 -0.00000000 34 -0.00005881 0.00000784 -0.00007029 0.00000837 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 -0.00002563 -0.00019221 0.00002700 0.00022683 0.00000000 41 -0.00019221 0.00002563 0.00022683 -0.00002700 0.00000000 42 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 43 0.00005346 0.00040092 -0.00005877 -0.00049376 0.00000000 44 0.00040092 -0.00005346 -0.00049376 0.00005877 0.00000000 45 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 46 -0.00001463 -0.00010969 0.00001473 0.00012372 0.00000000 47 -0.00010969 0.00001463 0.00012372 -0.00001473 0.00000000 48 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 49 0.00000000 -0.00000000 0.00000001 0.00000000 -0.01138153 50 0.00000000 -0.00000000 0.00000000 -0.00000000 -1.20764347 51 0.11907479 0.89301560 0.09783259 0.82188400 -0.00000000 52 -0.00000000 0.00000000 -0.00000001 -0.00000000 0.01138153 53 0.89301561 -0.11907479 0.82188400 -0.09783259 0.00000000 54 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 55 -0.00000000 0.00000000 -0.00000000 -0.00000000 0.00551998 56 -0.00000000 0.00000000 -0.00000000 0.00000000 0.58570092 57 -0.05775061 -0.43310762 -0.04744833 -0.39860976 0.00000000 58 0.00000000 0.00000000 0.00000000 0.00000000 -0.00551998 59 -0.43310762 0.05775061 -0.39860975 0.04744833 -0.00000000 60 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 61 -0.00001656 -0.00012421 0.00001926 0.00016180 0.00000000 62 -0.00005555 0.00000741 0.00007236 -0.00000861 0.00000000 63 0.00000000 0.00000000 0.00000000 0.00000000 -0.00000002 64 -0.00000741 -0.00005555 0.00000861 0.00007236 0.00000000 65 0.00000000 0.00000000 0.00000000 0.00000000 -0.00000224 66 -0.00000703 -0.00005269 0.00000893 0.00007500 0.00000000 67 -0.00012421 0.00001656 0.00016180 -0.00001926 0.00000000 68 0.00000000 0.00000000 0.00000000 0.00000000 0.00000002 69 -0.00005269 0.00000703 0.00007500 -0.00000893 0.00000000 70 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 56 57 58 59 60 1 0.00000000 0.00000000 0.00000000 -0.12896239 -0.15598231 2 0.00000000 0.00000000 0.00000000 0.05826792 0.07140596 3 0.00000000 0.00000000 0.00000000 0.04063666 0.04507093 4 0.00000000 0.00000000 0.00000000 0.05047364 0.06441318 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 0.00038773 0.00575500 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 0.00005327 -0.01363849 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 -0.00008131 0.00365249 14 -0.16913077 -0.00219026 1.04590956 -0.43453574 0.43016430 15 0.00212532 1.20771233 0.00252910 0.00000000 0.00000000 16 0.00000001 0.00000000 -0.00000000 0.00000000 0.00000000 17 0.16913077 0.00219026 -1.04590956 -0.43453574 0.43016430 18 0.00000001 0.00000000 -0.00000000 0.00000000 0.00000000 19 0.00000000 0.00000000 0.00000000 0.86248550 -0.86810330 20 0.08202755 0.00106227 -0.50726080 0.21027587 -0.20884095 21 -0.00103077 -0.58573432 -0.00122660 0.00000000 0.00000000 22 -0.00000000 -0.00000000 0.00000000 0.00000000 0.00000000 23 -0.08202755 -0.00106227 0.50726080 0.21027587 -0.20884095 24 -0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 25 0.00000000 0.00000000 0.00000000 -0.41895031 0.42109362 26 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 27 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 28 0.00000031 0.00000000 -0.00000195 -0.00007250 0.00205127 29 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 30 -0.00000000 -0.00000225 -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 -0.00000031 -0.00000000 0.00000195 -0.00007250 0.00205127 34 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 35 0.00000000 0.00000000 0.00000000 -0.00026790 0.00474394 36 0.00000000 0.00000000 0.00000000 -0.12881387 0.15610505 37 0.00000000 0.00000000 0.00000000 0.05819992 -0.07146141 38 0.00000000 0.00000000 0.00000000 0.04059376 -0.04510962 39 0.00000000 0.00000000 0.00000000 0.05041230 -0.06446121 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 -0.00038228 0.00575535 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 -0.00006617 -0.01363834 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 0.00008478 0.00365241 49 -1.04584992 0.00035421 -0.16914042 -0.43494508 -0.42975041 50 0.01314226 -0.19530653 -0.00040900 0.00000000 0.00000000 51 0.00000001 0.00000000 -0.00000001 0.00000000 0.00000000 52 1.04584992 -0.00035421 0.16914042 -0.43494508 -0.42975041 53 0.00000001 0.00000000 -0.00000000 0.00000000 0.00000000 54 0.00000000 0.00000000 0.00000000 0.86331158 0.86728178 55 0.50723188 -0.00017179 0.08203225 0.21047460 0.20864067 56 -0.00637393 0.09472269 0.00019836 0.00000000 0.00000000 57 -0.00000000 -0.00000000 0.00000000 0.00000000 0.00000000 58 -0.50723188 0.00017179 -0.08203225 0.21047460 0.20864067 59 -0.00000000 -0.00000000 0.00000000 0.00000000 0.00000000 60 0.00000000 0.00000000 0.00000000 -0.41935103 -0.42069457 61 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 62 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 63 -0.00000194 0.00000000 -0.00000031 0.00007443 0.00205118 64 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 65 0.00000002 -0.00000036 -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 0.00000194 -0.00000000 0.00000031 0.00007443 0.00205118 69 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 70 0.00000000 0.00000000 0.00000000 0.00027237 0.00474363 61 62 63 64 65 1 -9.99185940 10.03014313 -3.36639696 0.00000000 0.00000000 2 2.28088222 -2.27153344 0.72160476 0.00000000 0.00000000 3 6.54285730 -6.62137070 2.27584358 0.00000000 0.00000000 4 2.67892242 -2.64237671 0.87270056 0.00000000 0.00000000 5 0.00000000 0.00000000 0.00000000 0.70140594 -0.65290934 6 0.00000000 0.00000000 0.00000000 0.65290934 0.70140594 7 -0.27413101 -0.26171437 0.90188633 0.00000000 0.00000000 8 0.00000000 0.00000000 0.00000000 -4.66994531 4.34705598 9 0.00000000 0.00000000 0.00000000 -4.34705598 -4.66994531 10 1.95078472 1.86259245 -6.01708343 0.00000000 0.00000000 11 0.00000000 0.00000000 0.00000000 0.34492405 -0.32107532 12 0.00000000 0.00000000 0.00000000 0.32107532 0.34492405 13 -0.12554035 -0.11859983 0.44574447 0.00000000 0.00000000 14 0.39539398 -0.39234500 0.14463309 0.00000000 0.00000000 15 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 16 0.00000000 0.00000000 0.00000000 0.00006043 -0.00005625 17 0.39539398 -0.39234500 0.14463309 0.00000000 0.00000000 18 0.00000000 0.00000000 0.00000000 0.00005625 0.00006043 19 0.38599732 -0.40276078 0.14196566 0.00000000 0.00000000 20 -0.64378007 0.64661123 -0.22974371 0.00000000 0.00000000 21 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 22 0.00000000 0.00000000 0.00000000 -0.00004777 0.00004447 23 -0.64378007 0.64661123 -0.22974371 0.00000000 0.00000000 24 0.00000000 0.00000000 0.00000000 -0.00004447 -0.00004777 25 -0.63554329 0.65579996 -0.22725457 0.00000000 0.00000000 26 0.00000000 0.00000000 0.00000000 2.62021122 -2.43904459 27 0.00000000 0.00000000 0.00000000 1.09077390 1.17179408 28 -0.49748829 -0.47524990 1.50999265 0.00000000 0.00000000 29 0.00000000 0.00000000 0.00000000 1.17179408 -1.09077390 30 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 31 0.00000000 0.00000000 0.00000000 1.17178834 -1.09076856 32 0.00000000 0.00000000 0.00000000 2.43904459 2.62021122 33 -0.49748829 -0.47524990 1.50999265 0.00000000 0.00000000 34 0.00000000 0.00000000 0.00000000 1.09076856 1.17178834 35 -1.11093834 -1.06101134 3.37696448 0.00000000 0.00000000 36 -9.99258375 -10.02944190 -3.36633770 0.00000000 0.00000000 37 2.28104609 2.27137318 0.72159180 0.00000000 0.00000000 38 6.54333578 6.62091184 2.27580375 0.00000000 0.00000000 39 2.67911312 2.64218858 0.87268527 0.00000000 0.00000000 40 0.00000000 0.00000000 0.00000000 0.70149699 -0.65299409 41 0.00000000 0.00000000 0.00000000 0.65299409 0.70149699 42 0.27411458 -0.26173749 -0.90189155 0.00000000 0.00000000 43 0.00000000 0.00000000 0.00000000 -4.67055038 4.34761922 44 0.00000000 0.00000000 -0.00000000 -4.34761922 -4.67055038 45 -1.95066631 1.86275527 6.01711655 0.00000000 0.00000000 46 0.00000000 0.00000000 0.00000000 0.34496885 -0.32111702 47 0.00000000 0.00000000 0.00000000 0.32111702 0.34496885 48 0.12553300 -0.11861054 -0.44574711 0.00000000 0.00000000 49 0.39542236 0.39231730 0.14463067 0.00000000 0.00000000 50 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 51 0.00000000 0.00000000 0.00000000 -0.00006042 0.00005624 52 0.39542236 0.39231730 0.14463067 0.00000000 0.00000000 53 0.00000000 0.00000000 0.00000000 -0.00005624 -0.00006042 54 0.38602645 0.40273374 0.14196315 0.00000000 0.00000000 55 -0.64382682 -0.64656612 -0.22973977 0.00000000 0.00000000 56 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 57 0.00000000 0.00000000 0.00000000 0.00004777 -0.00004446 58 -0.64382682 -0.64656612 -0.22973977 0.00000000 0.00000000 59 0.00000000 0.00000000 0.00000000 0.00004446 0.00004777 60 -0.63559072 -0.65575542 -0.22725055 0.00000000 0.00000000 61 0.00000000 0.00000000 0.00000000 2.62055058 -2.43936049 62 0.00000000 0.00000000 0.00000000 1.09091517 1.17194585 63 0.49745799 -0.47529133 -1.51000087 0.00000000 0.00000000 64 0.00000000 0.00000000 0.00000000 1.17194585 -1.09091518 65 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 66 0.00000000 0.00000000 0.00000000 1.17194011 -1.09090983 67 0.00000000 0.00000000 0.00000000 2.43936049 2.62055058 68 0.49745799 -0.47529133 -1.51000087 0.00000000 0.00000000 69 0.00000000 0.00000000 0.00000000 1.09090983 1.17194010 70 1.11087072 -1.06110386 -3.37698287 0.00000000 0.00000000 66 67 68 69 70 1 0.00000000 0.00000000 3.15002177 54.09925076 54.21289059 2 0.00000000 0.00000000 -0.64058498 -26.24286591 -26.25693194 3 0.00000000 0.00000000 -2.19032415 -31.82375707 -32.02701929 4 0.00000000 0.00000000 -0.78066195 -15.26710633 -15.17885227 5 0.47969903 -0.83363091 0.00000000 0.00000000 0.00000000 6 0.83363091 0.47969903 0.00000000 0.00000000 0.00000000 7 0.00000000 0.00000000 0.95885800 -0.07167794 0.09960100 8 -3.18834605 5.54077385 0.00000000 0.00000000 0.00000000 9 -5.54077385 -3.18834605 0.00000000 0.00000000 0.00000000 10 0.00000000 0.00000000 -6.22868180 0.26684305 -0.37154125 11 0.23603630 -0.41018877 0.00000000 0.00000000 0.00000000 12 0.41018877 0.23603630 0.00000000 0.00000000 0.00000000 13 0.00000000 0.00000000 0.47896826 -0.05878570 0.07846233 14 0.00000000 0.00000000 -0.14033064 3.50507634 3.51435408 15 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 16 -0.00004057 0.00007051 0.00000000 0.00000000 0.00000000 17 0.00000000 0.00000000 -0.14033064 3.50507634 3.51435408 18 -0.00007051 -0.00004057 0.00000000 0.00000000 0.00000000 19 0.00000000 0.00000000 -0.14675623 3.51183736 3.50620401 20 0.00000000 0.00000000 0.22183723 3.26570284 3.28033832 21 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 22 0.00003215 -0.00005587 0.00000000 0.00000000 0.00000000 23 0.00000000 0.00000000 0.22183723 3.26570284 3.28033832 24 0.00005587 0.00003215 0.00000000 0.00000000 0.00000000 25 0.00000000 0.00000000 0.22742037 3.25432023 3.29399235 26 1.78825520 -3.10766695 0.00000000 0.00000000 0.00000000 27 1.38979091 0.79973204 0.00000000 0.00000000 0.00000000 28 0.00000000 0.00000000 1.55382202 -0.05237337 0.07351867 29 0.79973204 -1.38979091 0.00000000 0.00000000 0.00000000 30 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 31 0.79973581 -1.38979746 0.00000000 0.00000000 0.00000000 32 3.10766695 1.78825520 0.00000000 0.00000000 0.00000000 33 0.00000000 0.00000000 1.55382202 -0.05237337 0.07351867 34 1.38979746 0.79973581 0.00000000 0.00000000 0.00000000 35 0.00000000 0.00000000 3.47539108 -0.11907379 0.16672469 36 0.00000000 0.00000000 -3.15001995 54.09942708 -54.21271465 37 0.00000000 0.00000000 0.64058427 -26.24295131 26.25684659 38 0.00000000 0.00000000 2.19032343 -31.82386124 32.02691580 39 0.00000000 0.00000000 0.78066126 -15.26715570 15.17880262 40 -0.47963725 0.83352355 0.00000000 0.00000000 0.00000000 41 -0.83352355 -0.47963725 0.00000000 0.00000000 0.00000000 42 0.00000000 0.00000000 0.95885156 0.07167762 0.09960123 43 3.18793464 -5.54005889 0.00000000 0.00000000 0.00000000 44 5.54005889 3.18793464 0.00000000 0.00000000 0.00000000 45 0.00000000 0.00000000 -6.22863845 -0.26684185 -0.37154210 46 -0.23600591 0.41013597 0.00000000 0.00000000 0.00000000 47 -0.41013597 -0.23600591 0.00000000 0.00000000 0.00000000 48 0.00000000 0.00000000 0.47896509 0.05878545 0.07846252 49 0.00000000 0.00000000 0.14033063 3.50508777 -3.51434268 50 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 51 -0.00004058 0.00007052 0.00000000 0.00000000 0.00000000 52 0.00000000 0.00000000 0.14033063 3.50508777 -3.51434268 53 -0.00007052 -0.00004058 0.00000000 0.00000000 0.00000000 54 0.00000000 0.00000000 0.14675623 3.51184877 -3.50619259 55 0.00000000 0.00000000 -0.22183720 3.26571351 -3.28032770 56 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 57 0.00003216 -0.00005588 0.00000000 0.00000000 0.00000000 58 0.00000000 0.00000000 -0.22183720 3.26571351 -3.28032770 59 0.00005588 0.00003216 0.00000000 0.00000000 0.00000000 60 0.00000000 0.00000000 -0.22742035 3.25433094 -3.29398177 61 -1.78802436 3.10726579 0.00000000 0.00000000 0.00000000 62 -1.38961151 -0.79962880 0.00000000 0.00000000 0.00000000 63 0.00000000 0.00000000 1.55381112 0.05237314 0.07351884 64 -0.79962880 1.38961151 0.00000000 0.00000000 0.00000000 65 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 66 -0.79963257 1.38961806 0.00000000 0.00000000 0.00000000 67 -3.10726579 -1.78802436 0.00000000 0.00000000 0.00000000 68 0.00000000 0.00000000 1.55381112 0.05237314 0.07351884 69 -1.38961806 -0.79963257 0.00000000 0.00000000 0.00000000 70 0.00000000 0.00000000 3.47536671 0.11907325 0.16672507 --------------------------------------- UHF spin-up orbital energies --------------------------------------- 1 1 -0.50253978 2 -0.49736579 3 0.21642799 4 0.26610092 5 0.46914111 6 0.47720682 7 0.47720682 8 0.47953266 9 0.47953266 10 0.50345844 11 1.12242732 12 1.12761262 13 1.80675317 14 1.82367062 15 1.82367062 16 1.82747380 17 1.82747380 18 1.86092903 19 2.06817066 20 2.06817066 21 2.06818335 22 2.06818335 23 2.06818357 24 2.06818357 25 2.06818890 26 2.06818890 27 2.06891998 28 2.06970131 29 3.05526532 30 3.05837611 31 4.41066650 32 4.42888866 33 4.42888866 34 4.43278940 35 4.43278940 36 4.46649030 37 6.05507607 38 6.05507607 39 6.05507646 40 6.05507646 41 6.05507759 42 6.05507759 43 6.05507775 44 6.05507775 45 6.05507950 46 6.05507950 47 6.05507966 48 6.05507966 49 6.05510549 50 6.05512204 51 8.12093697 52 8.12093697 53 8.12094086 54 8.12094086 55 8.12094110 56 8.12094110 57 8.12094111 58 8.12094111 59 8.12134303 60 8.12160036 61 9.63371216 62 9.63712419 63 9.69328698 64 9.69931195 65 9.69931195 66 9.70121134 67 9.70121134 68 9.72259977 69 22.38615947 70 22.44327754 --------------------------------------- UHF spin-down orbital energies --------------------------------------- 1 1 0.03448337 2 0.05869166 3 0.33737584 4 0.36783086 5 0.53597656 6 0.54349841 7 0.54349841 8 0.54591337 9 0.54591337 10 0.57218029 11 1.21830492 12 1.22204651 13 1.87614768 14 1.89262160 15 1.89262160 16 1.89632709 17 1.89632709 18 1.92890407 19 2.11297393 20 2.11297393 21 2.11298009 22 2.11298009 23 2.11298101 24 2.11298101 25 2.11298122 26 2.11298122 27 2.11375646 28 2.11449948 29 3.13096189 30 3.13407142 31 4.45922081 32 4.47713124 33 4.47713124 34 4.48096291 35 4.48096291 36 4.51411640 37 6.08678957 38 6.08678957 39 6.08678974 40 6.08678974 41 6.08679109 42 6.08679109 43 6.08679126 44 6.08679126 45 6.08679328 46 6.08679328 47 6.08679345 48 6.08679345 49 6.08681909 50 6.08683446 51 8.16509586 52 8.16509586 53 8.16509868 54 8.16509868 55 8.16509911 56 8.16509911 57 8.16509936 58 8.16509936 59 8.16550206 60 8.16575228 61 9.69430004 62 9.69765839 63 9.73783255 64 9.74238191 65 9.74238191 66 9.74425965 67 9.74425965 68 9.76684390 69 22.39816340 70 22.45530338 Total CPU time for UHF = 1.244 seconds AO to MO transformation... Please be patient Total CPU time for AO to MO transformation = 15.278 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 | 0.730377 | 19.874579 | | 2 | 0.734132 | 19.976758 | | 3 | 0.794437 | 21.617730 | | 4 | 0.797879 | 21.711387 | | 5 | 0.978109 | 26.615701 | | 6 | 0.978109 | 26.615701 | | 7 | 0.978301 | 26.620938 | | 8 | 0.978301 | 26.620938 | | 9 | 0.981755 | 26.714923 | | 10 | 0.985344 | 26.812571 | | 11 | 1.040225 | 28.305976 | | 12 | 1.040225 | 28.305976 | | 13 | 1.043858 | 28.404817 | | 14 | 1.043858 | 28.404817 | | 15 | 1.051498 | 28.612705 | | 16 | 1.055160 | 28.712376 | | 17 | 1.625233 | 44.224829 | | 18 | 1.625533 | 44.233000 | | 19 | 1.701784 | 46.307895 | | 20 | 1.702086 | 46.316110 | ------------------------------------------------------------- *** Quasiparticle energies obtained by linearization *** -------------------------------------------------------------------------------------------------------------------------------- Unrestricted one-shot G0W0 calculation (eV) -------------------------------------------------------------------------------------------------------------------------------- | | e_HF | Sig_c | Z | e_QP | | #| up dw | up dw | up dw | up dw | -------------------------------------------------------------------------------------------------------------------------------- | 1| -13.674804 0.938340| 0.012136 -0.681303| 0.964774 0.984380| -13.663095 0.267679| | 2| -13.534012 1.597081| 0.007717 -0.809148| 0.964506 0.981272| -13.526569 0.803087| | 3| 5.889306 9.180464| -0.140420 -1.041021| 0.994528 0.968614| 5.749654 8.172117| | 4| 7.240975 10.009187| -0.138810 -0.916650| 0.994818 0.971112| 7.102884 9.119017| | 5| 12.765980 14.584665| -0.275720 -0.571578| 0.991005 0.977977| 12.492740 14.025674| | 6| 12.985459 14.789345| -0.280309 -0.562488| 0.990936 0.978921| 12.707691 14.238713| | 7| 12.985459 14.789345| -0.280309 -0.562488| 0.990936 0.978921| 12.707691 14.238713| | 8| 13.048748 14.855059| -0.282396 -0.565511| 0.990866 0.978785| 12.768932 14.301546| | 9| 13.048748 14.855059| -0.282396 -0.565511| 0.990866 0.978785| 12.768932 14.301546| | 10| 13.699802 15.569819| -0.305675 -0.626093| 0.990059 0.974464| 13.397166 14.959714| | 11| 30.542803 33.151765| -0.504820 -0.345328| 0.809841 0.600444| 30.133979 32.944415| | 12| 30.683902 33.253579| -0.528661 -0.412812| 0.819238 0.618894| 30.250803 32.998093| | 13| 49.164258 51.052579| -0.828161 -1.001693| 0.938726 0.927343| 48.386842 50.123666| | 14| 49.624605 51.500857| -0.844992 -1.037296| 0.948841 0.933125| 48.822842 50.532930| | 15| 49.624605 51.500857| -0.844992 -1.037296| 0.948841 0.933125| 48.822842 50.532930| | 16| 49.728095 51.601688| -0.849551 -1.043662| 0.948213 0.932499| 48.922540 50.628475| | 17| 49.728095 51.601688| -0.849551 -1.043662| 0.948213 0.932499| 48.922540 50.628475| | 18| 50.638458 52.488153| -0.852181 -1.193489| 0.709858 0.840737| 50.033531 51.484743| | 19| 56.277790 57.496949| -0.573354 -0.663265| 0.939043 0.944645| 55.739386 56.870399| | 20| 56.277790 57.496949| -0.573354 -0.663265| 0.939043 0.944645| 55.739386 56.870399| | 21| 56.278136 57.497117| -0.554211 -0.660707| 0.955871 0.944822| 55.748382 56.872866| | 22| 56.278136 57.497117| -0.554211 -0.660707| 0.955871 0.944822| 55.748382 56.872866| | 23| 56.278142 57.497142| -0.554077 -0.654126| 0.955862 0.951109| 55.748520 56.874997| | 24| 56.278142 57.497142| -0.554077 -0.654126| 0.955862 0.951109| 55.748520 56.874997| | 25| 56.278287 57.497148| -0.569824 -0.653988| 0.939784 0.951100| 55.742775 56.875140| | 26| 56.278287 57.497148| -0.569824 -0.653988| 0.939784 0.951100| 55.742775 56.875140| | 27| 56.298180 57.518243| -0.579581 -0.663656| 0.930893 0.942005| 55.758652 56.893076| | 28| 56.319441 57.538462| -0.572159 -0.659019| 0.935109 0.942374| 55.784410 56.917419| | 29| 83.138004 85.197812| 0.422252 0.269989| 0.736700 0.725572| 83.449077 85.393709| | 30| 83.222653 85.282427| 0.423391 0.263931| 0.738669 0.723915| 83.535399 85.473491| | 31| 120.020349 121.341579| -0.671106 -0.704673| 0.842138 0.894365| 119.455185 120.711343| | 32| 120.516199 121.828946| -0.720438 -0.761494| 0.705315 0.850102| 120.008064 121.181599| | 33| 120.516199 121.828946| -0.720438 -0.761494| 0.705315 0.850102| 120.008064 121.181599| | 34| 120.622343 121.933211| -0.752128 -0.780177| 0.629286 0.819239| 120.149040 121.294060| | 35| 120.622343 121.933211| -0.752128 -0.780177| 0.629286 0.819239| 120.149040 121.294060| | 36| 121.539392 122.835364| -0.686718 -0.687580| 0.797594 0.659994| 120.991669 122.381565| | 37| 164.767012 165.629981| -0.758821 -0.797173| 0.959962 0.957942| 164.038574 164.866334| | 38| 164.767012 165.629981| -0.758821 -0.797173| 0.959962 0.957942| 164.038574 164.866334| | 39| 164.767023 165.629985| -0.758831 -0.797173| 0.959933 0.957942| 164.038596 164.866339| | 40| 164.767023 165.629985| -0.758831 -0.797173| 0.959933 0.957942| 164.038596 164.866339| | 41| 164.767054 165.630022| -0.759098 -0.797494| 0.960135 0.958013| 164.038218 164.866012| | 42| 164.767054 165.630022| -0.759098 -0.797494| 0.960135 0.958013| 164.038218 164.866012| | 43| 164.767058 165.630027| -0.759098 -0.797493| 0.960135 0.958013| 164.038222 164.866017| | 44| 164.767058 165.630027| -0.759098 -0.797493| 0.960135 0.958013| 164.038222 164.866017| | 45| 164.767106 165.630082| -0.759340 -0.797751| 0.960152 0.958033| 164.038024 164.865810| | 46| 164.767106 165.630082| -0.759340 -0.797751| 0.960152 0.958033| 164.038024 164.865810| | 47| 164.767110 165.630086| -0.759339 -0.797750| 0.960152 0.958033| 164.038029 164.865815| | 48| 164.767110 165.630086| -0.759339 -0.797750| 0.960152 0.958033| 164.038029 164.865815| | 49| 164.767813 165.630784| -0.758478 -0.796961| 0.959384 0.957800| 164.040141 164.867455| | 50| 164.768263 165.631202| -0.758630 -0.797006| 0.959899 0.957827| 164.040055 164.867808| | 51| 220.981951 222.183575| -2.218942 -2.312214| 0.867642 0.860717| 219.056703 220.193414| | 52| 220.981951 222.183575| -2.218942 -2.312214| 0.867642 0.860717| 219.056703 220.193414| | 53| 220.982057 222.183652| -2.225539 -2.312156| 0.868067 0.860715| 219.050139 220.193544| | 54| 220.982057 222.183652| -2.225539 -2.312156| 0.868067 0.860715| 219.050139 220.193544| | 55| 220.982063 222.183664| -2.218896 -2.319513| 0.867643 0.861620| 219.056854 220.185124| | 56| 220.982063 222.183664| -2.218896 -2.319513| 0.867643 0.861620| 219.056854 220.185124| | 57| 220.982063 222.183671| -2.225536 -2.319511| 0.868067 0.861620| 219.050149 220.185133| | 58| 220.982063 222.183671| -2.225536 -2.319511| 0.868067 0.861620| 219.050149 220.185133| | 59| 220.993000 222.194629| -2.216571 -2.308834| 0.866621 0.858168| 219.072073 220.213261| | 60| 221.000003 222.201438| -2.217659 -2.310130| 0.866857 0.858768| 219.077610 220.217571| | 61| 262.146660 263.795341| -2.689134 -2.760443| 0.894012 0.892613| 259.742542 261.331334| | 62| 262.239506 263.886726| -2.696600 -2.791542| 0.893360 0.891017| 259.830472 261.399414| | 63| 263.767774 264.979921| -1.756411 -1.895874| 0.926740 0.920991| 262.140038 263.233837| | 64| 263.931722 265.103715| -1.700516 -1.768341| 0.928801 0.925611| 262.352281 263.466919| | 65| 263.931722 265.103715| -1.700516 -1.768341| 0.928801 0.925611| 262.352281 263.466919| | 66| 263.983407 265.154811| -1.704122 -1.772061| 0.928531 0.925328| 262.401076 263.515073| | 67| 263.983407 265.154811| -1.704122 -1.772061| 0.928531 0.925328| 262.401076 263.515073| | 68| 264.565416 265.769360| -1.818191 -1.936290| 0.921592 0.916833| 262.889786 263.994106| | 69| 609.158427 609.485070| -0.950001 -0.953822| 0.966457 0.966197| 608.240292 608.563491| | 70| 610.712689 611.039928| -1.009357 -1.013665| 0.962136 0.961830| 609.741550 610.064954| -------------------------------------------------------------------------------------------------------------------------------- UG0W0 HOMO energy: 0.000000 eV UG0W0 LUMO energy: 0.267679 eV UG0W0 HOMO-LUMO gap : 0.267679 eV -------------------------------------------------------------------------------------------------------------------------------- RPA@UG0W0 total energy : -1.028137 au RPA@UG0W0 correlation energy: -0.028271 au GM@UG0W0 total energy : -1.053991 au GM@UG0W0 correlation energy: -0.054126 au -------------------------------------------------------------------------------------------------------------------------------- ------------------------------------------------------------- BSE@UGW calculation: spin-flip manifold ------------------------------------------------------------- | State | Excitation energy (au) | Excitation energy (eV) | ------------------------------------------------------------- | 1 | 0.024237 | 0.659509 | | 2 | 0.024280 | 0.660699 | | 3 | 0.380542 | 10.355084 | | 4 | 0.380818 | 10.362578 | | 5 | 0.453847 | 12.349793 | | 6 | 0.453937 | 12.352264 | | 7 | 0.587088 | 15.975475 | | 8 | 0.587620 | 15.989954 | | 9 | 0.598622 | 16.289337 | | 10 | 0.598622 | 16.289337 | | 11 | 0.598660 | 16.290356 | | 12 | 0.598660 | 16.290356 | | 13 | 0.708429 | 19.277324 | | 14 | 0.709457 | 19.305319 | | 15 | 0.888584 | 24.179605 | | 16 | 0.888921 | 24.188782 | | 17 | 0.894306 | 24.335313 | | 18 | 0.894306 | 24.335313 | | 19 | 0.894351 | 24.336521 | | 20 | 0.894351 | 24.336521 | ------------------------------------------------------------- ------------------------------------------------------------- Excitation n. 1: 0.659509 eV f = 0.0000 = 0.0031 ------------------------------------------------------------- 1A -> 2B = -0.641014 1A -> 4B = 0.261734 2A -> 1B = 0.643673 2A -> 3B = -0.311619 ------------------------------------------------------------- Excitation n. 2: 0.660699 eV f = 0.0000 = 1.9969 ------------------------------------------------------------- 1A -> 1B = -0.632599 1A -> 3B = 0.307357 2A -> 2B = 0.652509 2A -> 4B = -0.265168 ------------------------------------------------------------- Excitation n. 3: 10.355084 eV f = 0.0000 = 0.3007 ------------------------------------------------------------- 1A -> 2B = 0.608707 1A -> 4B = -0.139195 2A -> 1B = 0.756065 2A -> 3B = 0.183893 ------------------------------------------------------------- Excitation n. 4: 10.362578 eV f = 0.0000 = 0.2910 ------------------------------------------------------------- 1A -> 1B = -0.763606 1A -> 3B = -0.165606 2A -> 2B = -0.606914 2A -> 4B = 0.127185 ------------------------------------------------------------- Excitation n. 5: 12.349793 eV f = 0.0000 = 0.9302 ------------------------------------------------------------- 1A -> 1B = -0.118277 1A -> 3B = -0.659712 2A -> 2B = 0.450014 2A -> 4B = 0.565593 ------------------------------------------------------------- Excitation n. 6: 12.352264 eV f = 0.0000 = 0.9119 ------------------------------------------------------------- 1A -> 2B = -0.464273 1A -> 4B = -0.544555 2A -> 1B = 0.107415 2A -> 3B = 0.669544 ------------------------------------------------------------- Excitation n. 7: 15.975475 eV f = 0.0000 = 0.9505 ------------------------------------------------------------- 1A -> 4B = 0.376752 1A -> 10B = 0.572644 2A -> 3B = 0.315651 2A -> 5B = 0.649995 ------------------------------------------------------------- Excitation n. 8: 15.989954 eV f = 0.0000 = 0.9474 ------------------------------------------------------------- 1A -> 3B = 0.327487 1A -> 5B = 0.636497 2A -> 4B = 0.372212 2A -> 10B = 0.583550 ------------------------------------------------------------- Excitation n. 9: 16.289337 eV f = 0.0000 = 1.0000 ------------------------------------------------------------- 1A -> 8B = 0.678226 1A -> 9B = 0.155095 2A -> 6B = -0.476927 2A -> 7B = -0.532039 ------------------------------------------------------------- Excitation n. 10: 16.289337 eV f = 0.0000 = 1.0000 ------------------------------------------------------------- 1A -> 8B = 0.155095 1A -> 9B = -0.678226 2A -> 6B = 0.532039 2A -> 7B = -0.476927 ------------------------------------------------------------- Excitation n. 11: 16.290356 eV f = 0.0000 = 1.0000 ------------------------------------------------------------- 1A -> 6B = -0.267923 1A -> 7B = -0.647445 2A -> 8B = 0.705069 ------------------------------------------------------------- Excitation n. 12: 16.290356 eV f = 0.0000 = 1.0000 ------------------------------------------------------------- 1A -> 6B = 0.647445 1A -> 7B = -0.267923 2A -> 9B = -0.705069 ------------------------------------------------------------- Excitation n. 13: 19.277324 eV f = 0.0000 = 0.8487 ------------------------------------------------------------- 1A -> 3B = 0.565230 1A -> 5B = -0.352520 2A -> 4B = 0.658616 2A -> 10B = -0.346327 ------------------------------------------------------------- Excitation n. 14: 19.305319 eV f = 0.0000 = 0.8493 ------------------------------------------------------------- 1A -> 4B = -0.672861 1A -> 10B = 0.336175 2A -> 3B = -0.551904 2A -> 5B = 0.356382 ------------------------------------------------------------- Excitation n. 15: 24.179605 eV f = 0.0000 = 0.9985 ------------------------------------------------------------- 1A -> 5B = 0.673791 2A -> 10B = -0.725489 ------------------------------------------------------------- Excitation n. 16: 24.188782 eV f = 0.0000 = 0.9982 ------------------------------------------------------------- 1A -> 10B = 0.738602 2A -> 5B = -0.659232 ------------------------------------------------------------- Excitation n. 17: 24.335313 eV f = 0.0000 = 1.0000 ------------------------------------------------------------- 1A -> 6B = 0.633171 1A -> 7B = 0.324714 2A -> 8B = 0.583444 2A -> 9B = 0.391421 ------------------------------------------------------------- Excitation n. 18: 24.335313 eV f = 0.0000 = 1.0000 ------------------------------------------------------------- 1A -> 6B = 0.324714 1A -> 7B = -0.633171 2A -> 8B = -0.391421 2A -> 9B = 0.583444 ------------------------------------------------------------- Excitation n. 19: 24.336521 eV f = 0.0000 = 1.0000 ------------------------------------------------------------- 1A -> 8B = -0.411930 1A -> 9B = -0.586098 2A -> 6B = -0.693724 ------------------------------------------------------------- Excitation n. 20: 24.336521 eV f = 0.0000 = 1.0000 ------------------------------------------------------------- 1A -> 8B = -0.586098 1A -> 9B = 0.411930 2A -> 7B = -0.693724 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 = -0.9998658789 ------------------------------------------------------------------------------- Total CPU time for G0W0 = 0.488 seconds Total CPU time for QuAcK = 17.686 seconds