207 significant shell pairs computed in 0.000105 seconds 0 Computed Electron repulsion integrals Integrals in parallel in 2.825528 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 6.7085277454 ------------------ Nuclear repulsion energy = 0.1490640030 ------------------ 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 = 0.882 seconds Lowdin orthogonalization ************************************************ * Unrestricted Hartree-Fock calculation * ************************************************ ---------------------------------------------------------- | # | E(UHF) | Ex(UHF) | Conv | ---------------------------------------------------------- | 1 | -0.9929569017 | -0.6222002149 | 1.000000 | | 2 | -0.9990338764 | -0.6249201898 | 0.012356 | | 3 | -0.9996785357 | -0.6252908228 | 0.005037 | | 4 | -0.9997653611 | -0.6253998341 | 0.002019 | | 5 | -0.9997781115 | -0.6254414312 | 0.000802 | | 6 | -0.9997800366 | -0.6254580262 | 0.000318 | | 7 | -0.9997803300 | -0.6254646648 | 0.000125 | | 8 | -0.9997803749 | -0.6254673126 | 0.000050 | | 9 | -0.9997803818 | -0.6254683657 | 0.000020 | | 10 | -0.9997803829 | -0.6254687837 | 0.000008 | | 11 | -0.9997803830 | -0.6254689494 | 0.000003 | | 12 | -0.9997803831 | -0.6254690151 | 0.000001 | | 13 | -0.9997803831 | -0.6254690410 | 0.000000 | | 14 | -0.9997803831 | -0.6254690513 | 0.000000 | | 15 | -0.9997803831 | -0.6254690554 | 0.000000 | ---------------------------------------------------------- ------------------------------------------------- Summary ------------------------------------------------- One-electron energy: -1.2977249303 au One-electron a energy: -1.2977249303 au One-electron b energy: 0.0000000000 au Kinetic energy: 1.0009867358 au Kinetic a energy: 1.0009867358 au Kinetic b energy: 0.0000000000 au Potential energy: -2.2987116662 au Potential a energy: -2.2987116662 au Potential b energy: 0.0000000000 au ------------------------------------------------- Two-electron energy: 0.1488805443 au Two-electron aa energy: 0.1488805443 au Two-electron ab energy: 0.0000000000 au Two-electron bb energy: 0.0000000000 au Hartree energy: 0.7743495996 au Hartree aa energy: 0.7743495996 au Hartree ab energy: 0.0000000000 au Hartree bb energy: 0.0000000000 au Exchange energy: -0.6254690554 au Exchange a energy: -0.6254690554 au Exchange b energy: 0.0000000000 au ------------------------------------------------- Electronic energy: -1.1488443861 au Nuclear repulsion: 0.1490640030 au UHF energy: -0.9997803831 au ------------------------------------------------- UHF HOMO a energy: -13.459677 eV UHF LUMO a energy: 6.077286 eV UHF HOMOa-LUMOa gap: 19.536963 eV ------------------------------------------------- UHF HOMO b energy: 0.000000 eV UHF LUMO b energy: 0.860108 eV UHF HOMOb-LUMOb gap : 0.000000 eV ------------------------------------------------- S (exact) : 3.000000 S : 3.000000 (exact) : 2.000000 : 2.000000 ------------------------------------------------- Dipole moment (Debye) X Y Z Tot. -0.000000 -0.000000 0.000001 0.000001 ------------------------------------------------- ----------------------------------------- UHF spin-up orbital coefficients ----------------------------------------- 1 2 3 4 5 1 0.70780549 -0.72227278 0.00439465 -0.08934076 -0.02062709 2 -0.00345598 0.00350211 -0.14506833 -0.19100051 -0.02169042 3 -0.00639143 0.00452381 1.64189087 1.96527779 0.35298558 4 -0.00354054 0.00021354 -1.25749014 -1.55730480 -0.27598716 5 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 6 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 7 0.00018612 0.00019530 -0.05295236 0.06934484 0.55934114 8 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 9 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 10 -0.00042395 -0.00044837 0.19000132 -0.24868855 -2.02188916 11 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 12 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 13 0.00066008 0.00075997 -0.10867404 0.14802333 1.07233962 14 0.00050730 -0.00051220 -0.01567792 -0.01731382 -0.00339090 15 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 16 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 17 0.00050730 -0.00051220 -0.01567792 -0.01731382 -0.00339090 18 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 19 0.00052229 -0.00049671 -0.01531109 -0.01760684 -0.00503375 20 0.00074589 -0.00061330 -0.17317594 -0.20793826 -0.03996333 21 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 22 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 23 0.00074589 -0.00061330 -0.17317594 -0.20793826 -0.03996333 24 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 25 0.00077236 -0.00058351 -0.17579016 -0.20525373 -0.03331819 26 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 27 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 28 0.00010597 0.00011007 -0.03437196 0.04492349 0.36543002 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 0.00010597 0.00011007 -0.03437196 0.04492349 0.36543002 34 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 35 0.00024437 0.00025276 -0.07686806 0.10039760 0.81761937 36 0.70780639 0.72227169 0.00439480 0.08934069 -0.02062712 37 -0.00345600 -0.00350211 -0.14506836 0.19100050 -0.02169031 38 -0.00639147 -0.00452392 1.64189109 -1.96527767 0.35298458 39 -0.00354035 -0.00021329 -1.25749031 1.55730473 -0.27598637 40 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 41 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 42 -0.00018616 0.00019525 0.05295234 0.06934500 -0.55934145 43 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 44 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 45 0.00042406 -0.00044819 -0.19000126 -0.24868912 2.02189028 46 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 47 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 48 -0.00066019 0.00075983 0.10867401 0.14802363 -1.07234037 49 0.00050730 0.00051220 -0.01567792 0.01731382 -0.00339090 50 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 51 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 52 0.00050730 0.00051220 -0.01567792 0.01731382 -0.00339090 53 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 54 0.00052229 0.00049671 -0.01531109 0.01760684 -0.00503374 55 0.00074589 0.00061330 -0.17317597 0.20793825 -0.03996322 56 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 57 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 58 0.00074589 0.00061330 -0.17317597 0.20793825 -0.03996322 59 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 60 0.00077236 0.00058352 -0.17579018 0.20525371 -0.03331810 61 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 62 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 63 -0.00010600 0.00011004 0.03437195 0.04492359 -0.36543022 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 -0.00010600 0.00011004 0.03437195 0.04492359 -0.36543022 69 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 70 -0.00024441 0.00025268 0.07686803 0.10039783 -0.81761982 6 7 8 9 10 1 0.00000000 0.00000000 0.00000000 0.00000000 -0.05347300 2 0.00000000 0.00000000 0.00000000 0.00000000 0.02807776 3 0.00000000 0.00000000 0.00000000 0.00000000 -0.37135047 4 0.00000000 0.00000000 0.00000000 0.00000000 0.44154600 5 0.07225203 0.51868991 -0.31405810 -0.40199661 0.00000000 6 0.51868991 -0.07225203 -0.40199661 0.31405810 0.00000000 7 0.00000000 0.00000000 0.00000000 0.00000000 0.44573239 8 -0.26085900 -1.87267986 1.13347905 1.45086128 0.00000000 9 -1.87267986 0.26085900 1.45086128 -1.13347905 0.00000000 10 0.00000000 0.00000000 0.00000000 0.00000000 -1.60516699 11 0.14649983 1.05170722 -0.65007103 -0.83209556 0.00000000 12 1.05170722 -0.14649983 -0.83209556 0.65007103 0.00000000 13 0.00000000 0.00000000 0.00000000 0.00000000 1.02528851 14 0.00000000 0.00000000 0.00000000 0.00000000 0.00159958 15 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 16 -0.00002408 -0.00017286 -0.00010217 -0.00013078 0.00000000 17 0.00000000 0.00000000 0.00000000 0.00000000 0.00159958 18 -0.00017286 0.00002408 -0.00013078 0.00010217 0.00000000 19 0.00000000 0.00000000 0.00000000 0.00000000 0.00421769 20 0.00000000 0.00000000 0.00000000 0.00000000 0.03419777 21 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 22 0.00010159 0.00072929 0.00042714 0.00054674 0.00000000 23 0.00000000 0.00000000 0.00000000 0.00000000 0.03419777 24 0.00072929 -0.00010159 0.00054674 -0.00042714 0.00000000 25 0.00000000 0.00000000 0.00000000 0.00000000 0.02233755 26 0.10521905 0.75535671 -0.45671746 -0.58460161 0.00000000 27 0.33780579 -0.04705539 -0.26144179 0.20425026 0.00000000 28 0.00000000 0.00000000 0.00000000 0.00000000 0.28800602 29 0.04705539 0.33780579 -0.20425026 -0.26144179 0.00000000 30 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 31 0.04706182 0.33785199 -0.20422273 -0.26140655 0.00000000 32 0.75535671 -0.10521905 -0.58460161 0.45671746 0.00000000 33 0.00000000 0.00000000 0.00000000 0.00000000 0.28800602 34 0.33785199 -0.04706182 -0.26140655 0.20422273 0.00000000 35 0.00000000 0.00000000 0.00000000 0.00000000 0.64336875 36 0.00000000 0.00000000 0.00000000 0.00000000 0.05347303 37 0.00000000 0.00000000 0.00000000 0.00000000 -0.02807780 38 0.00000000 0.00000000 0.00000000 0.00000000 0.37135088 39 0.00000000 0.00000000 0.00000000 0.00000000 -0.44154624 40 0.07225264 0.51869427 0.31405528 0.40199300 0.00000000 41 0.51869427 -0.07225264 0.40199300 -0.31405528 0.00000000 42 0.00000000 0.00000000 0.00000000 0.00000000 0.44573192 43 -0.26086119 -1.87269561 -1.13346886 -1.45084824 0.00000000 44 -1.87269561 0.26086119 -1.45084824 1.13346886 0.00000000 45 0.00000000 0.00000000 0.00000000 0.00000000 -1.60516526 46 0.14650110 1.05171629 0.65006533 0.83208827 0.00000000 47 1.05171629 -0.14650110 0.83208827 -0.65006533 0.00000000 48 0.00000000 0.00000000 0.00000000 0.00000000 1.02528764 49 0.00000000 0.00000000 0.00000000 0.00000000 -0.00159959 50 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 51 0.00002408 0.00017286 -0.00010217 -0.00013078 0.00000000 52 0.00000000 0.00000000 0.00000000 0.00000000 -0.00159959 53 0.00017286 -0.00002408 -0.00013078 0.00010217 0.00000000 54 0.00000000 0.00000000 0.00000000 0.00000000 -0.00421770 55 0.00000000 0.00000000 0.00000000 0.00000000 -0.03419782 56 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 57 -0.00010159 -0.00072928 0.00042714 0.00054675 0.00000000 58 0.00000000 0.00000000 0.00000000 0.00000000 -0.03419782 59 -0.00072928 0.00010159 0.00054675 -0.00042714 0.00000000 60 0.00000000 0.00000000 0.00000000 0.00000000 -0.02233758 61 0.10521993 0.75536306 0.45671335 0.58459635 0.00000000 62 0.33780863 -0.04705578 0.26143944 -0.20424842 0.00000000 63 0.00000000 0.00000000 0.00000000 0.00000000 0.28800571 64 0.04705578 0.33780863 0.20424842 0.26143944 0.00000000 65 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 66 0.04706222 0.33785483 0.20422089 0.26140420 0.00000000 67 0.75536306 -0.10521993 0.58459635 -0.45671335 0.00000000 68 0.00000000 0.00000000 0.00000000 0.00000000 0.28800571 69 0.33785483 -0.04706222 0.26140420 -0.20422089 0.00000000 70 0.00000000 0.00000000 0.00000000 0.00000000 0.64336805 11 12 13 14 15 1 2.03574231 2.07584696 -0.08048916 0.00000000 0.00000000 2 0.95195423 0.91709333 -0.01989467 0.00000000 0.00000000 3 -4.86993229 -4.79590802 0.23133533 0.00000000 0.00000000 4 0.63844404 0.43850751 -0.08192736 0.00000000 0.00000000 5 0.00000000 0.00000000 0.00000000 -0.34835077 -1.55580154 6 0.00000000 0.00000000 0.00000000 1.55580154 -0.34835077 7 0.01455364 -0.04809056 1.58786461 0.00000000 0.00000000 8 0.00000000 0.00000000 0.00000000 1.32220476 5.90522081 9 0.00000000 0.00000000 0.00000000 -5.90522081 1.32220476 10 -0.04794610 0.17426237 -6.01273200 0.00000000 0.00000000 11 0.00000000 0.00000000 0.00000000 -0.25105745 -1.12127089 12 0.00000000 0.00000000 0.00000000 1.12127089 -0.25105745 13 0.09741355 -0.08106274 1.10268187 0.00000000 0.00000000 14 0.04074987 0.04471349 -0.00037486 0.00000000 0.00000000 15 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 16 0.00000000 0.00000000 0.00000000 0.00022721 0.00101475 17 0.04074987 0.04471349 -0.00037486 0.00000000 0.00000000 18 0.00000000 0.00000000 0.00000000 -0.00101475 0.00022721 19 0.04414138 0.04295058 -0.00881621 0.00000000 0.00000000 20 0.69640775 0.68702187 -0.04933063 0.00000000 0.00000000 21 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 22 0.00000000 0.00000000 0.00000000 -0.00144138 -0.00643749 23 0.69640775 0.68702187 -0.04933063 0.00000000 0.00000000 24 0.00000000 0.00000000 0.00000000 0.00643749 -0.00144138 25 0.67657978 0.69834719 0.00279350 0.00000000 0.00000000 26 0.00000000 0.00000000 0.00000000 -0.51497651 -2.29998418 27 0.00000000 0.00000000 0.00000000 1.02858420 -0.23030450 28 0.00870987 -0.03183819 1.05175398 0.00000000 0.00000000 29 0.00000000 0.00000000 0.00000000 -0.23030450 -1.02858420 30 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 31 0.00000000 0.00000000 0.00000000 -0.23032297 -1.02866671 32 0.00000000 0.00000000 0.00000000 2.29998418 -0.51497651 33 0.00870987 -0.03183819 1.05175398 0.00000000 0.00000000 34 0.00000000 0.00000000 0.00000000 1.02866671 -0.23032297 35 0.01914435 -0.07113998 2.35265504 0.00000000 0.00000000 36 -2.03577302 2.07581688 -0.08048906 0.00000000 0.00000000 37 -0.95196780 0.91707925 -0.01989461 0.00000000 0.00000000 38 4.87000318 -4.79583593 0.23133495 0.00000000 0.00000000 39 -0.63845053 0.43849806 -0.08192721 0.00000000 0.00000000 40 0.00000000 0.00000000 0.00000000 -0.34835270 -1.55581019 41 0.00000000 0.00000000 0.00000000 1.55581019 -0.34835270 42 0.01455289 0.04809078 -1.58786551 0.00000000 0.00000000 43 0.00000000 0.00000000 0.00000000 1.32221212 5.90525370 44 0.00000000 0.00000000 0.00000000 -5.90525370 1.32221212 45 -0.04794336 -0.17426309 6.01273546 0.00000000 0.00000000 46 0.00000000 0.00000000 0.00000000 -0.25105887 -1.12127723 47 0.00000000 0.00000000 0.00000000 1.12127723 -0.25105887 48 0.09741230 0.08106420 -1.10268261 0.00000000 0.00000000 49 -0.04075053 0.04471289 -0.00037486 0.00000000 0.00000000 50 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 51 0.00000000 0.00000000 0.00000000 -0.00022721 -0.00101475 52 -0.04075053 0.04471289 -0.00037486 0.00000000 0.00000000 53 0.00000000 0.00000000 0.00000000 0.00101475 -0.00022721 54 -0.04414201 0.04294993 -0.00881620 0.00000000 0.00000000 55 -0.69641790 0.68701155 -0.04933057 0.00000000 0.00000000 56 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 57 0.00000000 0.00000000 0.00000000 0.00144138 0.00643749 58 -0.69641790 0.68701155 -0.04933057 0.00000000 0.00000000 59 0.00000000 0.00000000 0.00000000 -0.00643749 0.00144138 60 -0.67659009 0.69833717 0.00279356 0.00000000 0.00000000 61 0.00000000 0.00000000 0.00000000 -0.51497937 -2.29999696 62 0.00000000 0.00000000 0.00000000 1.02858991 -0.23030578 63 0.00870937 0.03183832 -1.05175457 0.00000000 0.00000000 64 0.00000000 0.00000000 0.00000000 -0.23030578 -1.02858991 65 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 66 0.00000000 0.00000000 0.00000000 -0.23032425 -1.02867242 67 0.00000000 0.00000000 0.00000000 2.29999696 -0.51497937 68 0.00870937 0.03183832 -1.05175457 0.00000000 0.00000000 69 0.00000000 0.00000000 0.00000000 1.02867242 -0.23032425 70 0.01914323 0.07114027 -2.35265637 0.00000000 0.00000000 16 17 18 19 20 1 0.00000000 0.00000000 0.09290374 0.00000000 0.00000000 2 0.00000000 0.00000000 0.09116050 0.00000000 0.00000000 3 0.00000000 0.00000000 -0.41070735 0.00000000 0.00000000 4 0.00000000 0.00000000 0.19590147 0.00000000 0.00000000 5 0.25933701 1.57138213 0.00000000 -0.00079811 -0.01287226 6 -1.57138213 0.25933701 0.00000000 0.01287226 -0.00079811 7 0.00000000 0.00000000 1.57425425 0.00000000 0.00000000 8 -0.98521336 -5.96963255 0.00000000 0.00309266 0.04987984 9 5.96963255 -0.98521336 0.00000000 -0.04987984 0.00309266 10 0.00000000 0.00000000 -6.00561328 0.00000000 0.00000000 11 0.18913630 1.14602003 0.00000000 -0.00069100 -0.01114478 12 -1.14602003 0.18913630 0.00000000 0.01114478 -0.00069100 13 0.00000000 0.00000000 1.22780767 0.00000000 0.00000000 14 0.00000000 0.00000000 -0.00832566 0.00000000 0.00000000 15 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 16 0.00018391 0.00111436 0.00000000 -0.00642941 -0.10369644 17 0.00000000 0.00000000 -0.00832566 0.00000000 0.00000000 18 -0.00111436 0.00018391 0.00000000 0.10369644 -0.00642941 19 0.00000000 0.00000000 0.02177025 0.00000000 0.00000000 20 0.00000000 0.00000000 0.11301363 0.00000000 0.00000000 21 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 22 -0.00118555 -0.00718350 0.00000000 0.04719376 0.76116271 23 0.00000000 0.00000000 0.11301363 0.00000000 0.00000000 24 0.00718350 -0.00118555 0.00000000 -0.76116271 0.04719376 25 0.00000000 0.00000000 -0.09075220 0.00000000 0.00000000 26 0.38310106 2.32129673 0.00000000 -0.00116060 -0.01871861 27 -1.03811546 0.17132800 0.00000000 0.00837122 -0.00051903 28 0.00000000 0.00000000 1.03659444 0.00000000 0.00000000 29 0.17132800 1.03811546 0.00000000 -0.00051903 -0.00837122 30 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 31 0.17131358 1.03802808 0.00000000 -0.00051808 -0.00835577 32 -2.32129673 0.38310106 0.00000000 0.01871861 -0.00116060 33 0.00000000 0.00000000 1.03659444 0.00000000 0.00000000 34 -1.03802808 0.17131358 0.00000000 0.00835577 -0.00051808 35 0.00000000 0.00000000 2.31641053 0.00000000 0.00000000 36 0.00000000 0.00000000 -0.09290379 0.00000000 0.00000000 37 0.00000000 0.00000000 -0.09116051 0.00000000 0.00000000 38 0.00000000 0.00000000 0.41070751 0.00000000 0.00000000 39 0.00000000 0.00000000 -0.19590152 0.00000000 0.00000000 40 -0.25933556 -1.57137330 0.00000000 -0.00079774 -0.01286630 41 1.57137330 -0.25933556 0.00000000 0.01286630 -0.00079774 42 0.00000000 0.00000000 1.57425331 0.00000000 0.00000000 43 0.98520784 5.96959909 0.00000000 0.00309123 0.04985677 44 -5.96959909 0.98520784 0.00000000 -0.04985677 0.00309123 45 0.00000000 0.00000000 -6.00560974 0.00000000 0.00000000 46 -0.18913526 -1.14601370 0.00000000 -0.00069068 -0.01113964 47 1.14601370 -0.18913526 0.00000000 0.01113964 -0.00069068 48 0.00000000 0.00000000 1.22780704 0.00000000 0.00000000 49 0.00000000 0.00000000 0.00832567 0.00000000 0.00000000 50 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 51 0.00018391 0.00111436 0.00000000 0.00643214 0.10374046 52 0.00000000 0.00000000 0.00832567 0.00000000 0.00000000 53 -0.00111436 0.00018391 0.00000000 -0.10374046 0.00643214 54 0.00000000 0.00000000 -0.02177026 0.00000000 0.00000000 55 0.00000000 0.00000000 -0.11301370 0.00000000 0.00000000 56 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 57 -0.00118555 -0.00718350 0.00000000 -0.04721380 -0.76148596 58 0.00000000 0.00000000 -0.11301370 0.00000000 0.00000000 59 0.00718350 -0.00118555 0.00000000 0.76148595 -0.04721380 60 0.00000000 0.00000000 0.09075224 0.00000000 0.00000000 61 -0.38309891 -2.32128368 0.00000000 -0.00116006 -0.01870995 62 1.03810962 -0.17132704 0.00000000 0.00836735 -0.00051879 63 0.00000000 0.00000000 1.03659381 0.00000000 0.00000000 64 -0.17132704 -1.03810962 0.00000000 -0.00051879 -0.00836735 65 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 66 -0.17131262 -1.03802225 0.00000000 -0.00051784 -0.00835190 67 2.32128368 -0.38309891 0.00000000 0.01870995 -0.00116006 68 0.00000000 0.00000000 1.03659381 0.00000000 0.00000000 69 1.03802225 -0.17131262 0.00000000 0.00835190 -0.00051784 70 0.00000000 0.00000000 2.31640913 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 -0.01388680 6 0.00000000 0.00000000 0.00000000 0.00000000 0.00284202 7 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 8 0.00000000 0.00000000 0.00000000 0.00000000 0.05382852 9 0.00000000 0.00000000 0.00000000 0.00000000 -0.01101634 10 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 11 0.00000000 0.00000000 0.00000000 0.00000000 -0.01197064 12 0.00000000 0.00000000 0.00000000 0.00000000 0.00244987 13 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 14 0.08944755 0.00007618 0.09053249 0.00006202 0.00000000 15 0.00008796 -0.10328513 -0.00007162 0.10453791 0.00000000 16 0.00000000 0.00000000 0.00000000 0.00000000 0.10181099 17 -0.08944755 -0.00007618 -0.09053249 -0.00006202 0.00000000 18 0.00000000 0.00000000 0.00000000 0.00000000 -0.02083624 19 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 20 -0.65662048 -0.00055920 -0.66458930 -0.00045530 0.00000000 21 -0.00064570 0.75820003 0.00052574 -0.76740163 0.00000000 22 0.00000000 0.00000000 0.00000000 0.00000000 -0.74744903 23 0.65662048 0.00055920 0.66458930 0.00045530 0.00000000 24 0.00000000 0.00000000 0.00000000 0.00000000 0.15297003 25 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 26 0.00000000 0.00000000 0.00000000 0.00000000 -0.02019467 27 0.00000000 0.00000000 0.00000000 0.00000000 0.00184832 28 -0.00000672 -0.00000001 -0.00000666 -0.00000000 0.00000000 29 0.00000000 0.00000000 0.00000000 0.00000000 -0.00903133 30 -0.00000001 0.00000776 0.00000001 -0.00000769 0.00000000 31 0.00000000 0.00000000 0.00000000 0.00000000 -0.00904278 32 0.00000000 0.00000000 0.00000000 0.00000000 0.00413296 33 0.00000672 0.00000001 0.00000666 0.00000000 0.00000000 34 0.00000000 0.00000000 0.00000000 0.00000000 0.00185066 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 0.01389209 41 0.00000000 0.00000000 0.00000000 0.00000000 -0.00284310 42 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 43 0.00000000 0.00000000 0.00000000 0.00000000 -0.05384901 44 0.00000000 0.00000000 0.00000000 0.00000000 0.01102053 45 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 46 0.00000000 0.00000000 0.00000000 0.00000000 0.01197523 47 0.00000000 0.00000000 0.00000000 0.00000000 -0.00245080 48 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 49 0.09053308 0.00007710 -0.08944694 -0.00006128 0.00000000 50 0.00008903 -0.10453859 0.00007076 -0.10328444 0.00000000 51 0.00000000 0.00000000 0.00000000 0.00000000 0.10176776 52 -0.09053308 -0.00007710 0.08944694 0.00006128 0.00000000 53 0.00000000 0.00000000 0.00000000 0.00000000 -0.02082740 54 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 55 -0.66458927 -0.00056598 0.65662052 0.00044985 0.00000000 56 -0.00065354 0.76740159 -0.00051944 0.75820006 0.00000000 57 0.00000000 0.00000000 0.00000000 0.00000000 -0.74713173 58 0.66458927 0.00056598 -0.65662052 -0.00044985 0.00000000 59 0.00000000 0.00000000 0.00000000 0.00000000 0.15290510 60 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 61 0.00000000 0.00000000 0.00000000 0.00000000 0.02020236 62 0.00000000 0.00000000 0.00000000 0.00000000 -0.00184902 63 0.00000679 0.00000001 -0.00000658 -0.00000000 0.00000000 64 0.00000000 0.00000000 0.00000000 0.00000000 0.00903477 65 0.00000001 -0.00000784 0.00000001 -0.00000759 0.00000000 66 0.00000000 0.00000000 0.00000000 0.00000000 0.00904621 67 0.00000000 0.00000000 0.00000000 0.00000000 -0.00413454 68 -0.00000679 -0.00000001 0.00000658 0.00000000 0.00000000 69 0.00000000 0.00000000 0.00000000 0.00000000 -0.00185136 70 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 26 27 28 29 30 1 0.00000000 -0.01629430 0.03375231 1.29914884 1.21733767 2 0.00000000 -0.03960637 0.08372926 -0.16952207 -0.11709567 3 0.00000000 0.10094144 -0.23842679 -4.31663824 -4.33871542 4 0.00000000 -0.04520701 0.12981212 0.30919240 0.43979938 5 -0.00284202 0.00000000 0.00000000 0.00000000 0.00000000 6 -0.01388680 0.00000000 0.00000000 0.00000000 0.00000000 7 0.00000000 -0.06363062 0.27771867 -0.03502799 0.04135130 8 0.01101634 0.00000000 0.00000000 0.00000000 0.00000000 9 0.05382852 0.00000000 0.00000000 0.00000000 0.00000000 10 0.00000000 0.24793910 -1.07259547 0.12207659 -0.17089101 11 -0.00244987 0.00000000 0.00000000 0.00000000 0.00000000 12 -0.01197064 0.00000000 0.00000000 0.00000000 0.00000000 13 0.00000000 -0.05391031 0.24451319 -0.04024927 0.07627311 14 0.00000000 0.05238192 0.04992072 0.09146290 0.08870303 15 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 16 0.02083624 0.00000000 0.00000000 0.00000000 0.00000000 17 0.00000000 0.05238192 0.04992072 0.09146290 0.08870303 18 0.10181099 0.00000000 0.00000000 0.00000000 0.00000000 19 0.00000000 -0.10324135 -0.10260662 0.09328589 0.08646811 20 0.00000000 -0.38732136 -0.35818012 1.34889152 1.33218830 21 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 22 -0.15297003 0.00000000 0.00000000 0.00000000 0.00000000 23 0.00000000 -0.38732136 -0.35818012 1.34889152 1.33218830 24 -0.74744903 0.00000000 0.00000000 0.00000000 0.00000000 25 0.00000000 0.75588760 0.76782038 1.32739638 1.36363562 26 -0.00413296 0.00000000 0.00000000 0.00000000 0.00000000 27 -0.00903133 0.00000000 0.00000000 0.00000000 0.00000000 28 0.00000000 -0.04121153 0.18118177 -0.02387750 0.02634463 29 -0.00184832 0.00000000 0.00000000 0.00000000 0.00000000 30 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 31 -0.00185066 0.00000000 0.00000000 0.00000000 0.00000000 32 -0.02019467 0.00000000 0.00000000 0.00000000 0.00000000 33 0.00000000 -0.04121153 0.18118177 -0.02387750 0.02634463 34 -0.00904278 0.00000000 0.00000000 0.00000000 0.00000000 35 0.00000000 -0.09223476 0.40467296 -0.05272434 0.05761392 36 0.00000000 -0.01629385 -0.03375251 1.29915640 -1.21732942 37 0.00000000 -0.03960531 -0.08372975 -0.16952276 0.11709455 38 0.00000000 0.10093836 0.23842805 -4.31666549 4.33868830 39 0.00000000 -0.04520535 -0.12981269 0.30919520 -0.43979747 40 0.00284310 0.00000000 0.00000000 0.00000000 0.00000000 41 0.01389209 0.00000000 0.00000000 0.00000000 0.00000000 42 0.00000000 0.06362699 0.27771929 0.03502772 0.04135152 43 -0.01102053 0.00000000 0.00000000 0.00000000 0.00000000 44 -0.05384901 0.00000000 0.00000000 0.00000000 0.00000000 45 0.00000000 -0.24792510 -1.07259791 -0.12207553 -0.17089173 46 0.00245080 0.00000000 0.00000000 0.00000000 0.00000000 47 0.01197523 0.00000000 0.00000000 0.00000000 0.00000000 48 0.00000000 0.05390713 0.24451375 0.04024880 0.07627335 49 0.00000000 0.05238255 -0.04992006 0.09146346 -0.08870245 50 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 51 0.02082740 0.00000000 0.00000000 0.00000000 0.00000000 52 0.00000000 0.05238255 -0.04992006 0.09146346 -0.08870245 53 0.10176776 0.00000000 0.00000000 0.00000000 0.00000000 54 0.00000000 -0.10324263 0.10260532 0.09328643 -0.08646752 55 0.00000000 -0.38732583 0.35817525 1.34889989 -1.33217983 56 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 57 -0.15290510 0.00000000 0.00000000 0.00000000 0.00000000 58 0.00000000 -0.38732583 0.35817525 1.34889989 -1.33217983 59 -0.74713173 0.00000000 0.00000000 0.00000000 0.00000000 60 0.00000000 0.75589724 -0.76781088 1.32740495 -1.36362728 61 0.00413454 0.00000000 0.00000000 0.00000000 0.00000000 62 0.00903477 0.00000000 0.00000000 0.00000000 0.00000000 63 0.00000000 0.04120916 0.18118217 0.02387733 0.02634478 64 0.00184902 0.00000000 0.00000000 0.00000000 0.00000000 65 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 66 0.00185136 0.00000000 0.00000000 0.00000000 0.00000000 67 0.02020236 0.00000000 0.00000000 0.00000000 0.00000000 68 0.00000000 0.04120916 0.18118217 0.02387733 0.02634478 69 0.00904621 0.00000000 0.00000000 0.00000000 0.00000000 70 0.00000000 0.09222948 0.40467385 0.05272397 0.05761424 31 32 33 34 35 1 -0.04752977 0.00000000 0.00000000 0.00000000 0.00000000 2 0.00169142 0.00000000 0.00000000 0.00000000 0.00000000 3 0.08662033 0.00000000 0.00000000 0.00000000 0.00000000 4 -0.03447418 0.00000000 0.00000000 0.00000000 0.00000000 5 0.00000000 1.16664912 2.65488522 -0.34699261 2.89929968 6 0.00000000 -2.65488522 1.16664912 2.89929968 0.34699261 7 2.83218719 0.00000000 0.00000000 0.00000000 0.00000000 8 0.00000000 -3.63058505 -8.26194131 1.08054215 -9.02847897 9 0.00000000 8.26194131 -3.63058505 -9.02847897 -1.08054215 10 -8.79178441 0.00000000 0.00000000 0.00000000 0.00000000 11 0.00000000 0.36550716 0.83176642 -0.10998617 0.91899033 12 0.00000000 -0.83176642 0.36550716 0.91899033 0.10998617 13 0.85251049 0.00000000 0.00000000 0.00000000 0.00000000 14 -0.00126256 0.00000000 0.00000000 0.00000000 0.00000000 15 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 16 0.00000000 -0.00007890 -0.00017955 -0.00002637 0.00022033 17 -0.00126256 0.00000000 0.00000000 0.00000000 0.00000000 18 0.00000000 0.00017955 -0.00007890 0.00022033 0.00002637 19 -0.00325737 0.00000000 0.00000000 0.00000000 0.00000000 20 -0.00371902 0.00000000 0.00000000 0.00000000 0.00000000 21 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 22 0.00000000 -0.00029391 -0.00066884 -0.00008820 0.00073698 23 -0.00371902 0.00000000 0.00000000 0.00000000 0.00000000 24 0.00000000 0.00066884 -0.00029391 0.00073698 0.00008820 25 -0.01091914 0.00000000 0.00000000 0.00000000 0.00000000 26 0.00000000 1.74595638 3.97318586 -0.51890285 4.33569710 27 0.00000000 -1.77686273 0.78081543 1.93898269 0.23206041 28 1.89922469 0.00000000 0.00000000 0.00000000 0.00000000 29 0.00000000 0.78081543 1.77686273 -0.23206041 1.93898269 30 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 31 0.00000000 0.78092176 1.77710469 -0.23202785 1.93871067 32 0.00000000 -3.97318586 1.74595638 4.33569710 0.51890285 33 1.89922469 0.00000000 0.00000000 0.00000000 0.00000000 34 0.00000000 -1.77710469 0.78092176 1.93871067 0.23202785 35 4.24942573 0.00000000 0.00000000 0.00000000 0.00000000 36 -0.04752969 0.00000000 0.00000000 0.00000000 0.00000000 37 0.00169147 0.00000000 0.00000000 0.00000000 0.00000000 38 0.08662006 0.00000000 0.00000000 0.00000000 0.00000000 39 -0.03447407 0.00000000 0.00000000 0.00000000 0.00000000 40 0.00000000 1.16665860 2.65490678 0.34698984 -2.89927650 41 0.00000000 -2.65490678 1.16665860 -2.89927650 -0.34698984 42 -2.83218982 0.00000000 0.00000000 0.00000000 0.00000000 43 0.00000000 -3.63061453 -8.26200841 -1.08053351 9.02840680 44 0.00000000 8.26200841 -3.63061453 9.02840680 1.08053351 45 8.79179263 0.00000000 0.00000000 0.00000000 0.00000000 46 0.00000000 0.36551017 0.83177325 0.10998530 -0.91898307 47 0.00000000 -0.83177325 0.36551017 -0.91898307 -0.10998530 48 -0.85251140 0.00000000 0.00000000 0.00000000 0.00000000 49 -0.00126256 0.00000000 0.00000000 0.00000000 0.00000000 50 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 51 0.00000000 0.00007890 0.00017955 -0.00002637 0.00022033 52 -0.00126256 0.00000000 0.00000000 0.00000000 0.00000000 53 0.00000000 -0.00017955 0.00007890 0.00022033 0.00002637 54 -0.00325737 0.00000000 0.00000000 0.00000000 0.00000000 55 -0.00371900 0.00000000 0.00000000 0.00000000 0.00000000 56 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 57 0.00000000 0.00029391 0.00066883 -0.00008820 0.00073699 58 -0.00371900 0.00000000 0.00000000 0.00000000 0.00000000 59 0.00000000 -0.00066883 0.00029391 0.00073699 0.00008820 60 -0.01091909 0.00000000 0.00000000 0.00000000 0.00000000 61 0.00000000 1.74597054 3.97321807 0.51889869 -4.33566238 62 0.00000000 -1.77687714 0.78082176 -1.93896716 -0.23205855 63 -1.89922643 0.00000000 0.00000000 0.00000000 0.00000000 64 0.00000000 0.78082176 1.77687714 0.23205855 -1.93896716 65 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 66 0.00000000 0.78092809 1.77711910 0.23202599 -1.93869514 67 0.00000000 -3.97321807 1.74597054 -4.33566238 -0.51889869 68 -1.89922643 0.00000000 0.00000000 0.00000000 0.00000000 69 0.00000000 -1.77711910 0.78092809 -1.93869514 -0.23202599 70 -4.24942963 0.00000000 0.00000000 0.00000000 0.00000000 36 37 38 39 40 1 0.00105314 0.00000000 0.00000000 0.00000000 0.00000000 2 -0.07220940 0.00000000 0.00000000 0.00000000 0.00000000 3 0.26829708 0.00000000 0.00000000 0.00000000 0.00000000 4 -0.14977094 0.00000000 0.00000000 0.00000000 0.00000000 5 0.00000000 -0.00087033 0.00090403 0.00118819 0.00000979 6 0.00000000 -0.00090403 -0.00087033 -0.00000979 0.00118819 7 -3.04539621 0.00000000 0.00000000 0.00000000 0.00000000 8 0.00000000 0.00266588 -0.00276911 -0.00364878 -0.00003007 9 0.00000000 0.00276911 0.00266588 0.00003007 -0.00364878 10 9.52481467 0.00000000 0.00000000 0.00000000 0.00000000 11 0.00000000 -0.00041397 0.00043000 0.00056466 0.00000465 12 0.00000000 -0.00043000 -0.00041397 -0.00000465 0.00056466 13 -1.03828520 0.00000000 0.00000000 0.00000000 0.00000000 14 0.00099022 0.00000000 0.00000000 0.00000000 0.00000000 15 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 16 0.00000000 0.00000663 -0.00000688 0.00001326 0.00000011 17 0.00099022 0.00000000 0.00000000 0.00000000 0.00000000 18 0.00000000 0.00000688 0.00000663 -0.00000011 0.00001326 19 -0.00308600 0.00000000 0.00000000 0.00000000 0.00000000 20 -0.04223250 0.00000000 0.00000000 0.00000000 0.00000000 21 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 22 0.00000000 -0.00001113 0.00001156 -0.00001581 -0.00000013 23 -0.04223250 0.00000000 0.00000000 0.00000000 0.00000000 24 0.00000000 -0.00001156 -0.00001113 0.00000013 -0.00001581 25 -0.05749188 0.00000000 0.00000000 0.00000000 0.00000000 26 0.00000000 -0.28771979 0.29886115 -0.45037318 -0.00371215 27 0.00000000 -0.13365480 -0.12867223 0.00166013 -0.20141306 28 -2.02944816 0.00000000 -0.00000000 -0.00000000 -0.00000000 29 0.00000000 -0.12867223 0.13365480 -0.20141306 -0.00166013 30 0.00000000 0.00000000 -0.00000000 -0.00000000 0.00000000 31 0.00000000 0.51205802 -0.53188642 0.80925514 0.00667020 32 0.00000000 -0.29886115 -0.28771979 0.00371215 -0.45037319 33 -2.02944816 -0.00000000 0.00000000 0.00000000 0.00000000 34 0.00000000 0.53188642 0.51205801 -0.00667020 0.80925515 35 -4.53232557 0.00000000 0.00000000 0.00000000 0.00000000 36 -0.00105303 0.00000000 0.00000000 0.00000000 0.00000000 37 0.07220938 0.00000000 0.00000000 0.00000000 0.00000000 38 -0.26829717 0.00000000 0.00000000 0.00000000 0.00000000 39 0.14977095 0.00000000 0.00000000 0.00000000 0.00000000 40 0.00000000 -0.00079297 0.00082367 -0.00129587 -0.00001068 41 0.00000000 -0.00082367 -0.00079297 0.00001068 -0.00129587 42 -3.04539379 0.00000000 0.00000000 0.00000000 0.00000000 43 0.00000000 0.00242835 -0.00252238 0.00397857 0.00003279 44 0.00000000 0.00252238 0.00242835 -0.00003279 0.00397857 45 9.52480713 0.00000000 0.00000000 0.00000000 0.00000000 46 0.00000000 -0.00037720 0.00039181 -0.00061588 -0.00000508 47 0.00000000 -0.00039181 -0.00037720 0.00000508 -0.00061588 48 -1.03828448 0.00000000 0.00000000 0.00000000 0.00000000 49 -0.00099021 0.00000000 0.00000000 0.00000000 0.00000000 50 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 51 0.00000000 -0.00000742 0.00000770 0.00001234 0.00000010 52 -0.00099021 0.00000000 0.00000000 0.00000000 0.00000000 53 0.00000000 -0.00000770 -0.00000742 -0.00000010 0.00001234 54 0.00308599 0.00000000 0.00000000 0.00000000 0.00000000 55 0.04223249 0.00000000 0.00000000 0.00000000 0.00000000 56 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 57 0.00000000 0.00001206 -0.00001253 -0.00001430 -0.00000012 58 0.04223249 0.00000000 0.00000000 0.00000000 0.00000000 59 0.00000000 0.00001253 0.00001206 0.00000012 -0.00001430 60 0.05749188 0.00000000 0.00000000 0.00000000 0.00000000 61 0.00000000 -0.31455665 0.32673722 0.41138286 0.00339078 62 0.00000000 -0.14612135 -0.14067404 -0.00151640 0.18397605 63 -2.02944653 -0.00000000 0.00000000 0.00000000 0.00000000 64 0.00000000 -0.14067404 0.14612135 0.18397605 0.00151640 65 0.00000000 -0.00000000 -0.00000000 0.00000000 0.00000000 66 0.00000000 0.56029980 -0.58199627 -0.73983258 -0.00609799 67 0.00000000 -0.32673722 -0.31455665 -0.00339078 0.41138286 68 -2.02944653 0.00000000 -0.00000000 -0.00000000 0.00000000 69 0.00000000 0.58199627 0.56029980 0.00609799 -0.73983257 70 -4.53232192 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 -0.00000451 0.00000001 0.00000989 0.00000001 0.00000000 15 0.00000001 0.00000520 0.00000001 -0.00001142 0.00000000 16 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 17 0.00000451 -0.00000001 -0.00000989 -0.00000001 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 0.00000633 -0.00000001 -0.00001341 -0.00000002 0.00000000 21 -0.00000001 -0.00000731 -0.00000002 0.00001548 0.00000000 22 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 23 -0.00000633 0.00000001 0.00001341 0.00000002 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 -0.00347592 27 0.00000000 0.00000000 -0.00000000 0.00000000 0.05716951 28 -0.36713838 0.00059965 0.78435200 0.00099688 0.00000000 29 0.00000000 0.00000000 -0.00000000 -0.00000000 0.00466344 30 0.00069242 0.42393487 0.00115109 -0.90569168 -0.00000000 31 0.00000000 0.00000000 -0.00000000 -0.00000000 0.00000000 32 0.00000000 0.00000000 -0.00000000 0.00000000 -0.04261164 33 0.36713838 -0.00059965 -0.78435200 -0.00099688 -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 -0.00000979 0.00000002 -0.00000471 -0.00000001 0.00000000 50 0.00000002 0.00001130 -0.00000001 0.00000543 0.00000000 51 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 52 0.00000979 -0.00000002 0.00000471 0.00000001 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 0.00001344 -0.00000002 0.00000624 0.00000001 0.00000000 56 -0.00000003 -0.00001552 0.00000001 -0.00000720 0.00000000 57 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 58 -0.00001344 0.00000002 -0.00000624 -0.00000001 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 0.06418092 62 0.00000000 0.00000000 0.00000000 0.00000000 -1.05560188 63 0.78435158 -0.00128110 0.36713858 0.00046661 0.00000000 64 0.00000000 0.00000000 -0.00000000 -0.00000000 -0.08610774 65 -0.00147929 -0.90569120 0.00053880 -0.42393510 -0.00000000 66 0.00000000 -0.00000000 -0.00000000 0.00000000 -0.00000000 67 -0.00000000 0.00000000 0.00000000 -0.00000000 0.78679922 68 -0.78435158 0.00128110 -0.36713858 -0.00046661 -0.00000000 69 0.00000000 -0.00000000 -0.00000000 -0.00000000 -0.00000004 70 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 46 47 48 49 50 1 0.00000000 0.00000000 0.00000000 0.00947524 -0.01609633 2 0.00000000 0.00000000 0.00000000 -0.00781148 0.01302293 3 0.00000000 0.00000000 0.00000000 0.00902768 -0.01453661 4 0.00000000 0.00000000 0.00000000 -0.00862359 0.01596897 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 -0.00613329 0.01512477 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 0.01850239 -0.04703383 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 -0.00257496 0.00789206 14 0.00000000 0.00000000 0.00000000 0.00016885 -0.00054037 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 0.00016885 -0.00054037 18 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 19 0.00000000 0.00000000 0.00000000 0.00031523 -0.00019919 20 0.00000000 0.00000000 0.00000000 -0.00251173 0.00373612 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 -0.00251173 0.00373612 24 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 25 0.00000000 0.00000000 0.00000000 -0.00242800 0.00395997 26 0.04261166 -0.77866456 0.12982186 0.00000000 0.00000000 27 0.00466344 -0.17417429 -1.04468808 0.00000000 0.00000000 28 0.00000000 0.00000000 0.00000000 -0.47759864 -0.46552552 29 -0.05716953 1.04468808 -0.17417429 0.00000000 0.00000000 30 -0.00000000 -0.00000000 0.00000000 0.00000000 0.00000000 31 -0.00000000 0.00000004 -0.00000001 0.00000000 0.00000000 32 -0.00347593 0.12982186 0.77866456 0.00000000 0.00000000 33 -0.00000000 -0.00000000 0.00000000 -0.47759864 -0.46552552 34 0.00000000 -0.00000001 -0.00000004 0.00000000 0.00000000 35 0.00000000 0.00000000 0.00000000 0.69826318 0.72839232 36 0.00000000 0.00000000 0.00000000 0.00944669 0.01611311 37 0.00000000 0.00000000 0.00000000 -0.00778838 -0.01303676 38 0.00000000 0.00000000 0.00000000 0.00900189 0.01455259 39 0.00000000 0.00000000 0.00000000 -0.00859526 -0.01598423 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 0.00610646 0.01513561 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 -0.01841897 -0.04706656 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 0.00256096 0.00789661 49 0.00000000 0.00000000 0.00000000 0.00016790 0.00054066 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 0.00016790 0.00054066 53 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 54 0.00000000 0.00000000 0.00000000 0.00031486 0.00019976 55 0.00000000 0.00000000 0.00000000 -0.00250511 -0.00374056 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 -0.00250511 -0.00374056 59 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 60 0.00000000 0.00000000 0.00000000 -0.00242096 -0.00396428 61 -0.78679922 -0.04217110 0.00703092 0.00000000 0.00000000 62 -0.08610774 -0.00943298 -0.05657844 0.00000000 0.00000000 63 0.00000000 0.00000000 0.00000000 0.47842317 -0.46467811 64 1.05560188 0.05657846 -0.00943297 0.00000000 0.00000000 65 0.00000000 0.00000000 -0.00000000 0.00000000 0.00000000 66 0.00000005 0.00000000 0.00000000 0.00000000 0.00000000 67 0.06418092 0.00703092 0.04217108 0.00000000 0.00000000 68 0.00000000 0.00000000 0.00000000 0.47842317 -0.46467811 69 -0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 70 0.00000000 0.00000000 0.00000000 -0.69955338 0.72715330 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 0.00006652 -0.00187762 0.00000000 0.00000000 0.00000000 6 0.00187762 0.00006652 0.00000000 0.00000000 0.00000000 7 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 8 -0.00014110 0.00398293 0.00000000 0.00000000 0.00000000 9 -0.00398293 -0.00014110 0.00000000 0.00000000 0.00000000 10 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 11 0.00003772 -0.00106487 0.00000000 0.00000000 0.00000000 12 0.00106487 0.00003772 0.00000000 0.00000000 0.00000000 13 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 14 0.00000000 0.00000000 -0.00136106 0.73013839 -0.00449921 15 0.00000000 0.00000000 -0.84309120 -0.00157161 0.88705664 16 0.03060823 -0.86398671 0.00000000 0.00000000 0.00000000 17 0.00000000 0.00000000 0.00136106 -0.73013839 0.00449921 18 0.86398671 0.03060823 0.00000000 0.00000000 0.00000000 19 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 20 0.00000000 0.00000000 0.00066313 -0.35573515 0.00219209 21 0.00000000 0.00000000 0.41076757 0.00076572 -0.43218918 22 -0.01491240 0.42093633 0.00000000 0.00000000 0.00000000 23 0.00000000 0.00000000 -0.00066313 0.35573515 -0.00219209 24 -0.42093633 -0.01491240 0.00000000 0.00000000 0.00000000 25 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 26 0.00004444 -0.00125449 0.00000000 0.00000000 0.00000000 27 0.00056102 0.00001988 0.00000000 0.00000000 0.00000000 28 0.00000000 0.00000000 0.00000001 -0.00000526 0.00000003 29 0.00001988 -0.00056102 0.00000000 0.00000000 0.00000000 30 0.00000000 0.00000000 0.00000607 0.00000001 -0.00000657 31 0.00001955 -0.00055187 0.00000000 0.00000000 0.00000000 32 0.00125449 0.00004444 0.00000000 0.00000000 0.00000000 33 0.00000000 0.00000000 -0.00000001 0.00000526 -0.00000003 34 0.00055187 0.00001955 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 0.00006639 -0.00187387 0.00000000 0.00000000 0.00000000 41 0.00187387 0.00006639 0.00000000 0.00000000 0.00000000 42 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 43 -0.00014082 0.00397487 0.00000000 0.00000000 0.00000000 44 -0.00397487 -0.00014082 0.00000000 0.00000000 0.00000000 45 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 46 0.00003765 -0.00106278 0.00000000 0.00000000 0.00000000 47 0.00106278 0.00003765 0.00000000 0.00000000 0.00000000 48 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 49 0.00000000 0.00000000 -0.00143205 0.76822522 0.00427615 50 0.00000000 0.00000000 -0.88707008 -0.00165359 -0.84307845 51 -0.03066693 0.86564364 0.00000000 -0.00000000 0.00000000 52 0.00000000 0.00000000 0.00143205 -0.76822522 -0.00427615 53 -0.86564364 -0.03066693 -0.00000000 -0.00000000 0.00000000 54 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 55 0.00000000 0.00000000 0.00069772 -0.37429171 -0.00208342 56 0.00000000 0.00000000 0.43219484 0.00080566 0.41076230 57 0.01494100 -0.42174364 0.00000000 0.00000000 0.00000000 58 0.00000000 0.00000000 -0.00069772 0.37429171 0.00208342 59 0.42174364 0.01494100 0.00000000 0.00000000 0.00000000 60 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 61 0.00004435 -0.00125190 0.00000000 0.00000000 0.00000000 62 0.00055987 0.00001983 0.00000000 0.00000000 0.00000000 63 0.00000000 0.00000000 -0.00000001 0.00000554 0.00000003 64 0.00001983 -0.00055987 0.00000000 0.00000000 0.00000000 65 0.00000000 0.00000000 -0.00000639 -0.00000001 -0.00000625 66 0.00001951 -0.00055070 0.00000000 0.00000000 0.00000000 67 0.00125190 0.00004435 0.00000000 0.00000000 0.00000000 68 0.00000000 0.00000000 0.00000001 -0.00000554 -0.00000003 69 0.00055070 0.00001951 0.00000000 0.00000000 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 0.10906173 0.16826386 2 0.00000000 0.00000000 0.00000000 -0.05262707 -0.08191661 3 0.00000000 0.00000000 0.00000000 -0.01692351 -0.02393081 4 0.00000000 0.00000000 0.00000000 -0.05148409 -0.08529804 5 0.00000000 -0.00103273 -0.00167965 0.00000000 0.00000000 6 0.00000000 0.00167965 -0.00103273 0.00000000 0.00000000 7 0.00000000 0.00000000 0.00000000 -0.01143765 -0.02833775 8 0.00000000 0.00223017 0.00362719 0.00000000 0.00000000 9 0.00000000 -0.00362719 0.00223017 0.00000000 0.00000000 10 0.00000000 0.00000000 0.00000000 0.02217207 0.06592136 11 0.00000000 -0.00057434 -0.00093412 0.00000000 0.00000000 12 0.00000000 0.00093412 -0.00057434 0.00000000 0.00000000 13 0.00000000 0.00000000 0.00000000 -0.00550156 -0.01780978 14 -0.76821358 0.00000000 0.00000000 0.43368402 -0.43097663 15 -0.00519524 0.00000000 0.00000000 0.00000000 0.00000000 16 0.00000000 0.45368133 0.73787800 0.00000000 0.00000000 17 0.76821358 0.00000000 -0.00000000 0.43368402 -0.43097663 18 0.00000000 -0.73787800 0.45368133 0.00000000 0.00000000 19 0.00000000 0.00000000 0.00000000 -0.86436990 0.86734438 20 0.37428681 0.00000000 0.00000000 -0.21428247 0.20637468 21 0.00253121 0.00000000 0.00000000 0.00000000 0.00000000 22 0.00000000 -0.22104737 -0.35951664 0.00000000 0.00000000 23 -0.37428681 0.00000000 0.00000000 -0.21428247 0.20637468 24 0.00000000 0.35951664 -0.22104737 0.00000000 0.00000000 25 0.00000000 0.00000000 0.00000000 0.41854253 -0.42741820 26 0.00000000 -0.00071927 -0.00116984 0.00000000 0.00000000 27 0.00000000 0.00052317 -0.00032167 0.00000000 0.00000000 28 0.00000569 0.00000000 0.00000000 -0.00299943 -0.00979503 29 0.00000000 -0.00032167 -0.00052317 0.00000000 0.00000000 30 0.00000004 0.00000000 0.00000000 0.00000000 0.00000000 31 0.00000000 -0.00032839 -0.00053410 0.00000000 0.00000000 32 0.00000000 0.00116984 -0.00071927 0.00000000 0.00000000 33 -0.00000569 0.00000000 0.00000000 -0.00299943 -0.00979503 34 0.00000000 0.00053410 -0.00032839 0.00000000 0.00000000 35 0.00000000 0.00000000 0.00000000 -0.00642950 -0.02250295 36 0.00000000 0.00000000 0.00000000 0.10904540 -0.16827450 37 0.00000000 0.00000000 0.00000000 -0.05261911 0.08192174 38 0.00000000 0.00000000 0.00000000 -0.01692120 0.02393247 39 0.00000000 0.00000000 0.00000000 -0.05147580 0.08530306 40 0.00000000 0.00103460 0.00168269 0.00000000 0.00000000 41 0.00000000 -0.00168269 0.00103460 0.00000000 0.00000000 42 0.00000000 0.00000000 0.00000000 0.01143493 -0.02833883 43 0.00000000 -0.00223411 -0.00363361 0.00000000 0.00000000 44 0.00000000 0.00363361 -0.00223411 0.00000000 0.00000000 45 0.00000000 0.00000000 0.00000000 -0.02216575 0.06592339 46 0.00000000 0.00057540 0.00093585 0.00000000 0.00000000 47 0.00000000 -0.00093585 0.00057540 0.00000000 0.00000000 48 0.00000000 0.00000000 0.00000000 0.00549984 -0.01781031 49 0.73012735 -0.00000000 0.00000000 0.43372595 0.43093444 50 0.00493768 0.00000000 0.00000000 0.00000000 0.00000000 51 0.00000000 0.45281296 0.73646565 0.00000000 0.00000000 52 -0.73012735 0.00000000 -0.00000000 0.43372595 0.43093444 53 0.00000000 -0.73646565 0.45281296 0.00000000 0.00000000 54 0.00000000 0.00000000 0.00000000 -0.86445427 -0.86726029 55 -0.35573059 0.00000000 0.00000000 -0.21430254 -0.20635384 56 -0.00240572 0.00000000 0.00000000 0.00000000 0.00000000 57 0.00000000 -0.22062429 -0.35882854 0.00000000 0.00000000 58 0.35573059 0.00000000 0.00000000 -0.21430254 -0.20635384 59 0.00000000 0.35882854 -0.22062429 0.00000000 0.00000000 60 0.00000000 0.00000000 0.00000000 0.41858411 0.42737748 61 0.00000000 0.00072050 0.00117185 0.00000000 0.00000000 62 0.00000000 -0.00052407 0.00032222 0.00000000 0.00000000 63 0.00000541 0.00000000 0.00000000 0.00299849 -0.00979530 64 0.00000000 0.00032222 0.00052407 0.00000000 0.00000000 65 0.00000004 0.00000000 0.00000000 0.00000000 0.00000000 66 0.00000000 0.00032893 0.00053498 0.00000000 0.00000000 67 0.00000000 -0.00117185 0.00072050 0.00000000 0.00000000 68 -0.00000541 0.00000000 0.00000000 0.00299849 -0.00979530 69 0.00000000 -0.00053498 0.00032893 0.00000000 0.00000000 70 0.00000000 0.00000000 0.00000000 0.00642737 -0.02250350 61 62 63 64 65 1 10.57880408 -10.39398485 -0.59428227 0.00000000 0.00000000 2 -2.40716279 2.32741278 0.13168052 0.00000000 0.00000000 3 -6.98621684 6.90101934 0.36521834 0.00000000 0.00000000 4 -2.81576435 2.72147618 0.18019131 0.00000000 0.00000000 5 0.00000000 0.00000000 0.00000000 -0.50505530 0.82265524 6 0.00000000 0.00000000 0.00000000 0.82265524 0.50505530 7 -0.06686621 0.08610333 -0.91484151 0.00000000 0.00000000 8 0.00000000 0.00000000 0.00000000 3.34774129 -5.45294136 9 0.00000000 0.00000000 0.00000000 -5.45294135 -3.34774129 10 0.42052894 -0.66063050 6.21786677 0.00000000 0.00000000 11 0.00000000 0.00000000 0.00000000 -0.24656608 0.40161717 12 0.00000000 0.00000000 0.00000000 0.40161717 0.24656608 13 -0.04520984 0.02567045 -0.44037197 0.00000000 0.00000000 14 -0.41658047 0.41548849 0.03100658 0.00000000 0.00000000 15 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 16 0.00000000 0.00000000 0.00000000 -0.00039267 0.00063960 17 -0.41658047 0.41548849 0.03100658 0.00000000 0.00000000 18 0.00000000 0.00000000 0.00000000 0.00063960 0.00039267 19 -0.40682908 0.42864263 0.02271685 0.00000000 0.00000000 20 0.69531391 -0.68034685 -0.03830913 0.00000000 0.00000000 21 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 22 0.00000000 0.00000000 0.00000000 0.00031513 -0.00051329 23 0.69531391 -0.68034685 -0.03830913 0.00000000 0.00000000 24 0.00000000 0.00000000 0.00000000 -0.00051329 -0.00031513 25 0.68572769 -0.69290164 -0.03165806 0.00000000 0.00000000 26 0.00000000 0.00000000 0.00000000 -1.87841506 3.05964119 27 0.00000000 0.00000000 0.00000000 1.36831314 0.84005275 28 -0.10244519 0.17289482 -1.56930347 0.00000000 0.00000000 29 0.00000000 0.00000000 0.00000000 -0.84005275 1.36831314 30 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 31 0.00000000 0.00000000 0.00000000 -0.83999815 1.36822421 32 0.00000000 0.00000000 0.00000000 3.05964119 1.87841506 33 -0.10244519 0.17289482 -1.56930347 0.00000000 0.00000000 34 0.00000000 0.00000000 0.00000000 1.36822421 0.83999815 35 -0.23058590 0.38459937 -3.50790096 0.00000000 0.00000000 36 10.57905944 10.39372513 -0.59428620 0.00000000 0.00000000 37 -2.40721995 -2.32735367 0.13168128 0.00000000 0.00000000 38 -6.98638644 -6.90084784 0.36522128 0.00000000 0.00000000 39 -2.81583119 -2.72140704 0.18019214 0.00000000 0.00000000 40 0.00000000 0.00000000 0.00000000 -0.50506905 0.82267765 41 0.00000000 0.00000000 0.00000000 0.82267765 0.50506905 42 0.06686809 0.08610175 0.91484456 0.00000000 0.00000000 43 0.00000000 0.00000000 0.00000000 3.34783174 -5.45308868 44 0.00000000 0.00000000 0.00000000 -5.45308868 -3.34783174 45 -0.42054360 -0.66062050 -6.21788587 0.00000000 0.00000000 46 0.00000000 0.00000000 0.00000000 -0.24657282 0.40162814 47 0.00000000 0.00000000 0.00000000 0.40162814 0.24657282 48 0.04521034 0.02566936 0.44037351 0.00000000 0.00000000 49 -0.41659068 -0.41547826 0.03100673 0.00000000 0.00000000 50 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 51 0.00000000 0.00000000 0.00000000 0.00039266 -0.00063958 52 -0.41659068 -0.41547826 0.03100673 0.00000000 0.00000000 53 0.00000000 0.00000000 0.00000000 -0.00063958 -0.00039266 54 -0.40683962 -0.42863265 0.02271706 0.00000000 0.00000000 55 0.69533064 0.68032979 -0.03830943 0.00000000 0.00000000 56 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 57 0.00000000 0.00000000 0.00000000 -0.00031512 0.00051328 58 0.69533064 0.68032979 -0.03830943 0.00000000 0.00000000 59 0.00000000 0.00000000 0.00000000 0.00051328 0.00031512 60 0.68574473 0.69288482 -0.03165840 0.00000000 0.00000000 61 0.00000000 0.00000000 0.00000000 -1.87846572 3.05972372 62 0.00000000 0.00000000 0.00000000 1.36835004 0.84007541 63 0.10244905 0.17289238 1.56930820 0.00000000 0.00000000 64 0.00000000 0.00000000 0.00000000 -0.84007541 1.36835004 65 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 66 0.00000000 0.00000000 0.00000000 -0.84002081 1.36826111 67 0.00000000 0.00000000 0.00000000 3.05972372 1.87846572 68 0.10244905 0.17289238 1.56930820 0.00000000 0.00000000 69 0.00000000 0.00000000 0.00000000 1.36826111 0.84002081 70 0.23059447 0.38459389 3.50791154 0.00000000 0.00000000 66 67 68 69 70 1 0.00000000 0.00000000 -1.19992267 -54.02254983 54.36411983 2 0.00000000 0.00000000 0.22116012 26.19450689 -26.32617653 3 0.00000000 0.00000000 0.90878703 31.82086959 -32.11942948 4 0.00000000 0.00000000 0.24772760 15.23076204 -15.20899143 5 0.50110514 0.84272661 0.00000000 0.00000000 0.00000000 6 -0.84272661 0.50110514 0.00000000 0.00000000 0.00000000 7 0.00000000 0.00000000 -1.06940134 0.01677202 0.07309321 8 -3.29700744 -5.54469649 0.00000000 0.00000000 0.00000000 9 5.54469649 -3.29700744 0.00000000 0.00000000 0.00000000 10 0.00000000 0.00000000 6.73733254 -0.05993256 -0.27097778 11 0.24543364 0.41275462 0.00000000 0.00000000 0.00000000 12 -0.41275462 0.24543364 0.00000000 0.00000000 0.00000000 13 0.00000000 0.00000000 -0.53958551 0.03637267 0.07690267 14 0.00000000 0.00000000 0.05007867 -3.50121683 3.52211632 15 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 16 -0.00038695 -0.00065075 0.00000000 0.00000000 0.00000000 17 0.00000000 0.00000000 0.05007867 -3.50121683 3.52211632 18 0.00065075 -0.00038695 0.00000000 0.00000000 0.00000000 19 0.00000000 0.00000000 0.06642635 -3.50795208 3.51236094 20 0.00000000 0.00000000 -0.09130875 -3.26659003 3.29079456 21 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 22 0.00031104 0.00052308 0.00000000 0.00000000 0.00000000 23 0.00000000 0.00000000 -0.09130875 -3.26659003 3.29079456 24 -0.00052308 0.00031104 0.00000000 0.00000000 0.00000000 25 0.00000000 0.00000000 -0.10527159 -3.25338948 3.30898752 26 1.84686530 3.10594007 0.00000000 0.00000000 0.00000000 27 -1.38901863 0.82594327 0.00000000 0.00000000 0.00000000 28 0.00000000 0.00000000 -1.66964993 0.00870540 0.05121746 29 0.82594327 1.38901863 0.00000000 0.00000000 0.00000000 30 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 31 0.82599670 1.38910848 0.00000000 0.00000000 0.00000000 32 -3.10594007 1.84686530 0.00000000 0.00000000 0.00000000 33 0.00000000 0.00000000 -1.66964993 0.00870540 0.05121746 34 -1.38910848 0.82599670 0.00000000 0.00000000 0.00000000 35 0.00000000 0.00000000 -3.73585621 0.02133449 0.11717829 36 0.00000000 0.00000000 1.19991856 -54.02259437 -54.36407559 37 0.00000000 0.00000000 -0.22115922 26.19452846 26.32615508 38 0.00000000 0.00000000 -0.90878440 31.82089591 32.11940343 39 0.00000000 0.00000000 -0.24772645 15.23077450 15.20897896 40 -0.50109194 -0.84270441 0.00000000 0.00000000 0.00000000 41 0.84270441 -0.50109194 0.00000000 0.00000000 0.00000000 42 0.00000000 0.00000000 -1.06939880 -0.01677197 0.07309322 43 3.29691989 5.54454925 0.00000000 0.00000000 0.00000000 44 -5.54454925 3.29691989 0.00000000 0.00000000 0.00000000 45 0.00000000 0.00000000 6.73731515 0.05993235 -0.27097781 46 -0.24542720 -0.41274378 0.00000000 0.00000000 0.00000000 47 0.41274378 -0.24542720 0.00000000 0.00000000 0.00000000 48 0.00000000 0.00000000 -0.53958429 -0.03637261 0.07690270 49 0.00000000 0.00000000 -0.05007848 -3.50121971 -3.52211346 50 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 51 -0.00038696 -0.00065077 0.00000000 0.00000000 0.00000000 52 0.00000000 0.00000000 -0.05007848 -3.50121971 -3.52211346 53 0.00065077 -0.00038696 0.00000000 0.00000000 0.00000000 54 0.00000000 0.00000000 -0.06642618 -3.50795495 -3.51235807 55 0.00000000 0.00000000 0.09130849 -3.26659273 -3.29079188 56 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 57 0.00031105 0.00052310 0.00000000 0.00000000 0.00000000 58 0.00000000 0.00000000 0.09130849 -3.26659273 -3.29079188 59 -0.00052310 0.00031105 0.00000000 0.00000000 0.00000000 60 0.00000000 0.00000000 0.10527135 -3.25339219 -3.30898486 61 -1.84681617 -3.10585745 0.00000000 0.00000000 0.00000000 62 1.38898168 -0.82592130 0.00000000 0.00000000 0.00000000 63 0.00000000 0.00000000 -1.66964553 -0.00870536 0.05121747 64 -0.82592130 -1.38898168 0.00000000 0.00000000 0.00000000 65 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 66 -0.82597473 -1.38907153 0.00000000 0.00000000 0.00000000 67 3.10585745 -1.84681617 0.00000000 0.00000000 0.00000000 68 0.00000000 0.00000000 -1.66964553 -0.00870536 0.05121747 69 1.38907153 -0.82597473 0.00000000 0.00000000 0.00000000 70 0.00000000 0.00000000 -3.73584639 -0.02133440 0.11717830 ----------------------------------------- UHF spin-down orbital coefficients ----------------------------------------- 1 2 3 4 5 1 0.49234913 0.53706071 -0.08134802 -0.01408957 -0.03210286 2 0.01240275 0.01548803 0.23385806 -0.27672222 -0.04450590 3 -0.53440657 -0.55709794 -1.93940372 2.25647973 0.47904062 4 0.58128010 0.65435065 1.13556032 -1.44789569 -0.30368842 5 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 6 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 7 0.00596037 -0.01113459 0.07013265 0.07973621 0.60425069 8 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 9 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 10 -0.02127694 0.04006690 -0.25498724 -0.28977235 -2.20124094 11 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 12 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 13 0.01297788 -0.02099634 0.13393892 0.15885019 1.10627947 14 0.00625173 0.00615977 0.01693854 -0.01850741 -0.00432267 15 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 16 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 17 0.00625173 0.00615977 0.01693854 -0.01850741 -0.00432267 18 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 19 0.00627265 0.00618319 0.01651925 -0.01880161 -0.00600321 20 0.05437822 0.05595152 0.21105456 -0.24474048 -0.05480053 21 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 22 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 23 0.05437822 0.05595152 0.21105456 -0.24474048 -0.05480053 24 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 25 0.05462264 0.05547650 0.21362885 -0.24236923 -0.04808132 26 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 27 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 28 0.00382549 -0.00724805 0.04571645 0.05185718 0.39557465 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 0.00382549 -0.00724805 0.04571645 0.05185718 0.39557465 34 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 35 0.00851626 -0.01617188 0.10222022 0.11587112 0.88502976 36 0.49235060 -0.53705956 -0.08134794 0.01408999 -0.03210272 37 0.01240278 -0.01548797 0.23385982 0.27672061 -0.04450580 38 -0.53440777 0.55709616 -1.93941842 -2.25646678 0.47903989 39 0.58128153 -0.65434882 1.13557006 1.44788835 -0.30368798 40 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 41 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 42 -0.00596032 -0.01113466 -0.07013219 0.07973674 -0.60425092 43 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 44 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 45 0.02127677 0.04006714 0.25498553 -0.28977429 2.20124180 46 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 47 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 48 -0.01297777 -0.02099650 -0.13393805 0.15885117 -1.10628003 49 0.00625174 -0.00615975 0.01693866 0.01850730 -0.00432266 50 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 51 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 52 0.00625174 -0.00615975 0.01693866 0.01850730 -0.00432266 53 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 54 0.00627266 -0.00618317 0.01651937 0.01880150 -0.00600320 55 0.05437834 -0.05595134 0.21105615 0.24473906 -0.05480044 56 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 57 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 58 0.05437834 -0.05595134 0.21105615 0.24473906 -0.05480044 59 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 60 0.05462276 -0.05547631 0.21363042 0.24236780 -0.04808126 61 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 62 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 63 -0.00382546 -0.00724809 -0.04571615 0.05185753 -0.39557480 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 -0.00382546 -0.00724809 -0.04571615 0.05185753 -0.39557480 69 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 70 -0.00851619 -0.01617198 -0.10221954 0.11587190 -0.88503011 6 7 8 9 10 1 0.00000000 0.00000000 0.00000000 0.00000000 0.03285603 2 0.00000000 0.00000000 0.00000000 0.00000000 -0.05770465 3 0.00000000 0.00000000 0.00000000 0.00000000 0.51505469 4 0.00000000 0.00000000 0.00000000 0.00000000 -0.46871554 5 0.55501854 0.12782288 -0.14499635 -0.53654823 0.00000000 6 -0.12782288 0.55501854 -0.53654823 0.14499635 0.00000000 7 0.00000000 0.00000000 0.00000000 0.00000000 -0.48908246 8 -2.02154231 -0.46556890 0.52812615 1.95429157 0.00000000 9 0.46556890 -2.02154231 1.95429157 -0.52812615 0.00000000 10 0.00000000 0.00000000 0.00000000 0.00000000 1.78091386 11 1.07117845 0.24669648 -0.28530905 -1.05576492 0.00000000 12 -0.24669648 1.07117845 -1.05576492 0.28530905 0.00000000 13 0.00000000 0.00000000 0.00000000 0.00000000 -1.06477820 14 0.00000000 0.00000000 0.00000000 0.00000000 -0.00241847 15 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 16 -0.00017493 -0.00004029 -0.00004391 -0.00016247 0.00000000 17 0.00000000 0.00000000 0.00000000 0.00000000 -0.00241847 18 0.00004029 -0.00017493 -0.00016247 0.00004391 0.00000000 19 0.00000000 0.00000000 0.00000000 0.00000000 -0.00518618 20 0.00000000 0.00000000 0.00000000 0.00000000 -0.05079742 21 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 22 0.00073086 0.00016832 0.00017992 0.00066579 0.00000000 23 0.00000000 0.00000000 0.00000000 0.00000000 -0.05079742 24 -0.00016832 0.00073086 0.00066579 -0.00017992 0.00000000 25 0.00000000 0.00000000 0.00000000 0.00000000 -0.03847626 26 0.81013364 0.18657686 -0.21137610 -0.78218156 0.00000000 27 -0.08343971 0.36230278 -0.34980223 0.09453027 0.00000000 28 0.00000000 0.00000000 0.00000000 0.00000000 -0.31696777 29 0.36230278 0.08343971 -0.09453027 -0.34980223 0.00000000 30 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 31 0.36234758 0.08345003 -0.09451892 -0.34976023 0.00000000 32 -0.18657686 0.81013364 -0.78218156 0.21137610 0.00000000 33 0.00000000 0.00000000 0.00000000 0.00000000 -0.31696777 34 -0.08345003 0.36234758 -0.34976023 0.09451892 0.00000000 35 0.00000000 0.00000000 0.00000000 0.00000000 -0.70812667 36 0.00000000 0.00000000 0.00000000 0.00000000 -0.03285597 37 0.00000000 0.00000000 0.00000000 0.00000000 0.05770463 38 0.00000000 0.00000000 0.00000000 0.00000000 -0.51505459 39 0.00000000 0.00000000 0.00000000 0.00000000 0.46871553 40 0.55502180 0.12782364 0.14499543 0.53654482 0.00000000 41 -0.12782364 0.55502180 0.53654482 -0.14499543 0.00000000 42 0.00000000 0.00000000 0.00000000 0.00000000 -0.48908205 43 -2.02155419 -0.46557163 -0.52812279 -1.95427915 0.00000000 44 0.46557163 -2.02155419 -1.95427915 0.52812279 0.00000000 45 0.00000000 0.00000000 0.00000000 0.00000000 1.78091233 46 1.07118493 0.24669797 0.28530728 1.05575840 0.00000000 47 -0.24669797 1.07118493 1.05575840 -0.28530728 0.00000000 48 0.00000000 0.00000000 0.00000000 0.00000000 -1.06477751 49 0.00000000 0.00000000 0.00000000 0.00000000 0.00241847 50 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 51 0.00017493 0.00004029 -0.00004391 -0.00016247 0.00000000 52 0.00000000 0.00000000 0.00000000 0.00000000 0.00241847 53 -0.00004029 0.00017493 -0.00016247 0.00004391 0.00000000 54 0.00000000 0.00000000 0.00000000 0.00000000 0.00518618 55 0.00000000 0.00000000 0.00000000 0.00000000 0.05079742 56 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 57 -0.00073084 -0.00016831 0.00017993 0.00066581 0.00000000 58 0.00000000 0.00000000 0.00000000 0.00000000 0.05079742 59 0.00016831 -0.00073084 0.00066581 -0.00017993 0.00000000 60 0.00000000 0.00000000 0.00000000 0.00000000 0.03847622 61 0.81013840 0.18657796 0.21137476 0.78217658 0.00000000 62 -0.08344020 0.36230491 0.34980000 -0.09452967 0.00000000 63 0.00000000 0.00000000 0.00000000 0.00000000 -0.31696750 64 0.36230491 0.08344020 0.09452967 0.34980000 0.00000000 65 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 66 0.36234970 0.08345052 0.09451832 0.34975801 0.00000000 67 -0.18657796 0.81013840 0.78217658 -0.21137476 0.00000000 68 0.00000000 0.00000000 0.00000000 0.00000000 -0.31696750 69 -0.08345052 0.36234970 0.34975801 -0.09451832 0.00000000 70 0.00000000 0.00000000 0.00000000 0.00000000 -0.70812606 11 12 13 14 15 1 -2.09998058 2.14437173 -0.07616427 0.00000000 0.00000000 2 -0.93366981 0.90065473 -0.01786627 0.00000000 0.00000000 3 4.79660644 -4.74412926 0.21849925 0.00000000 0.00000000 4 -0.53353222 0.35270892 -0.07797171 0.00000000 0.00000000 5 0.00000000 0.00000000 0.00000000 -0.42440993 1.56044801 6 0.00000000 0.00000000 0.00000000 1.56044801 0.42440993 7 -0.01323830 -0.04692121 1.60838483 0.00000000 0.00000000 8 0.00000000 0.00000000 0.00000000 1.60262722 -5.89245507 9 0.00000000 0.00000000 0.00000000 -5.89245507 -1.60262722 10 0.04549587 0.17075782 -6.05945451 0.00000000 0.00000000 11 0.00000000 0.00000000 0.00000000 -0.29472043 1.08361250 12 0.00000000 0.00000000 0.00000000 1.08361250 0.29472043 13 -0.09024753 -0.07558027 1.07503555 0.00000000 0.00000000 14 -0.04238634 0.04660922 -0.00004485 0.00000000 0.00000000 15 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 16 0.00000000 0.00000000 0.00000000 0.00029227 -0.00107460 17 -0.04238634 0.04660922 -0.00004485 0.00000000 0.00000000 18 0.00000000 0.00000000 0.00000000 -0.00107460 -0.00029227 19 -0.04587419 0.04474863 -0.00909721 0.00000000 0.00000000 20 -0.71740989 0.71019572 -0.04884920 0.00000000 0.00000000 21 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 22 0.00000000 0.00000000 0.00000000 -0.00183930 0.00676263 23 -0.71740989 0.71019572 -0.04884920 0.00000000 0.00000000 24 0.00000000 0.00000000 0.00000000 0.00676263 0.00183930 25 -0.69740290 0.72178186 0.00675715 0.00000000 0.00000000 26 0.00000000 0.00000000 0.00000000 -0.62679720 2.30457481 27 0.00000000 0.00000000 0.00000000 1.03063719 0.28031223 28 -0.00794827 -0.03111424 1.06432035 0.00000000 0.00000000 29 0.00000000 0.00000000 0.00000000 -0.28031223 1.03063719 30 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 31 0.00000000 0.00000000 0.00000000 -0.28033340 1.03071503 32 0.00000000 0.00000000 0.00000000 2.30457481 0.62679720 33 -0.00794827 -0.03111424 1.06432035 0.00000000 0.00000000 34 0.00000000 0.00000000 0.00000000 1.03071503 0.28033340 35 -0.01745496 -0.06951762 2.38072940 0.00000000 0.00000000 36 2.10012588 2.14422935 -0.07616424 0.00000000 0.00000000 37 0.93373088 0.90059146 -0.01786620 0.00000000 0.00000000 38 -4.79692799 -4.74380417 0.21849885 0.00000000 0.00000000 39 0.53355619 0.35267285 -0.07797149 0.00000000 0.00000000 40 0.00000000 0.00000000 0.00000000 -0.42441331 1.56046044 41 0.00000000 0.00000000 0.00000000 1.56046044 0.42441331 42 -0.01323511 0.04692207 -1.60838612 0.00000000 0.00000000 43 0.00000000 0.00000000 0.00000000 1.60264001 -5.89250211 44 0.00000000 0.00000000 0.00000000 -5.89250211 -1.60264001 45 0.04548428 -0.17076073 6.05945946 0.00000000 0.00000000 46 0.00000000 0.00000000 0.00000000 -0.29472282 1.08362129 47 0.00000000 0.00000000 0.00000000 1.08362129 0.29472282 48 -0.09024238 0.07558635 -1.07503659 0.00000000 0.00000000 49 0.04238949 0.04660635 -0.00004484 0.00000000 0.00000000 50 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 51 0.00000000 0.00000000 0.00000000 -0.00029227 0.00107460 52 0.04238949 0.04660635 -0.00004484 0.00000000 0.00000000 53 0.00000000 0.00000000 0.00000000 0.00107460 0.00029227 54 0.04587722 0.04474551 -0.00909722 0.00000000 0.00000000 55 0.71745799 0.71014705 -0.04884917 0.00000000 0.00000000 56 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 57 0.00000000 0.00000000 0.00000000 0.00183931 -0.00676269 58 0.71745799 0.71014705 -0.04884917 0.00000000 0.00000000 59 0.00000000 0.00000000 0.00000000 -0.00676269 -0.00183931 60 0.69745177 0.72173456 0.00675727 0.00000000 0.00000000 61 0.00000000 0.00000000 0.00000000 -0.62680219 2.30459316 62 0.00000000 0.00000000 0.00000000 1.03064539 0.28031446 63 -0.00794615 0.03111475 -1.06432120 0.00000000 0.00000000 64 0.00000000 0.00000000 0.00000000 -0.28031446 1.03064539 65 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 66 0.00000000 0.00000000 0.00000000 -0.28033563 1.03072323 67 0.00000000 0.00000000 0.00000000 2.30459316 0.62680219 68 -0.00794615 0.03111475 -1.06432120 0.00000000 0.00000000 69 0.00000000 0.00000000 0.00000000 1.03072323 0.28033563 70 -0.01745023 0.06951875 -2.38073130 0.00000000 0.00000000 16 17 18 19 20 1 0.00000000 0.00000000 0.08997569 0.00000000 0.00000000 2 0.00000000 0.00000000 0.08759963 0.00000000 0.00000000 3 0.00000000 0.00000000 -0.39541844 0.00000000 0.00000000 4 0.00000000 0.00000000 0.18623377 0.00000000 0.00000000 5 -0.31594432 -1.58489619 0.00000000 0.00402218 -0.01351001 6 1.58489619 -0.31594432 0.00000000 -0.01351001 -0.00402218 7 0.00000000 0.00000000 1.59308004 0.00000000 0.00000000 8 1.19406917 5.98990251 0.00000000 -0.01546306 0.05193853 9 -5.98990251 1.19406917 0.00000000 0.05193853 0.01546306 10 0.00000000 0.00000000 -6.04541234 0.00000000 0.00000000 11 -0.22206754 -1.11397478 0.00000000 0.00331751 -0.01114312 12 1.11397478 -0.22206754 0.00000000 -0.01114312 -0.00331751 13 0.00000000 0.00000000 1.19864596 0.00000000 0.00000000 14 0.00000000 0.00000000 -0.00970904 0.00000000 0.00000000 15 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 16 -0.00024198 -0.00121386 0.00000000 0.03031055 -0.10180942 17 0.00000000 0.00000000 -0.00970904 0.00000000 0.00000000 18 0.00121386 -0.00024198 0.00000000 -0.10180942 -0.03031055 19 0.00000000 0.00000000 0.02461610 0.00000000 0.00000000 20 0.00000000 0.00000000 0.12142592 0.00000000 0.00000000 21 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 22 0.00155001 0.00777546 0.00000000 -0.21791781 0.73195925 23 0.00000000 0.00000000 0.12142592 0.00000000 0.00000000 24 -0.00777546 0.00155001 0.00000000 0.73195925 0.21791781 25 0.00000000 0.00000000 -0.10883105 0.00000000 0.00000000 26 -0.46625922 -2.33893258 0.00000000 0.00585052 -0.01965116 27 1.04600245 -0.20851746 0.00000000 -0.00878827 -0.00261643 28 0.00000000 0.00000000 1.04794571 0.00000000 0.00000000 29 -0.20851746 -1.04600245 0.00000000 0.00261643 -0.00878827 30 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 31 -0.20850061 -1.04591789 0.00000000 0.00261167 -0.00877227 32 2.33893258 -0.46625922 0.00000000 -0.01965116 -0.00585052 33 0.00000000 0.00000000 1.04794571 0.00000000 0.00000000 34 1.04591789 -0.20850061 0.00000000 -0.00877227 -0.00261167 35 0.00000000 0.00000000 2.34182826 0.00000000 0.00000000 36 0.00000000 0.00000000 -0.08997566 0.00000000 0.00000000 37 0.00000000 0.00000000 -0.08759960 0.00000000 0.00000000 38 0.00000000 0.00000000 0.39541851 0.00000000 0.00000000 39 0.00000000 0.00000000 -0.18623385 0.00000000 0.00000000 40 0.31594178 1.58488344 0.00000000 0.00401976 -0.01350189 41 -1.58488344 0.31594178 0.00000000 -0.01350189 -0.00401976 42 0.00000000 0.00000000 1.59307870 0.00000000 0.00000000 43 -1.19405958 -5.98985441 0.00000000 -0.01545376 0.05190730 44 5.98985441 -1.19405958 0.00000000 0.05190730 0.01545376 45 0.00000000 0.00000000 -6.04540735 0.00000000 0.00000000 46 0.22206579 1.11396598 0.00000000 0.00331552 -0.01113644 47 -1.11396598 0.22206579 0.00000000 -0.01113644 -0.00331552 48 0.00000000 0.00000000 1.19864511 0.00000000 0.00000000 49 0.00000000 0.00000000 0.00970903 0.00000000 0.00000000 50 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 51 -0.00024198 -0.00121386 0.00000000 -0.03032716 0.10186523 52 0.00000000 0.00000000 0.00970903 0.00000000 0.00000000 53 0.00121386 -0.00024198 0.00000000 0.10186523 0.03032716 54 0.00000000 0.00000000 -0.02461610 0.00000000 0.00000000 55 0.00000000 0.00000000 -0.12142593 0.00000000 0.00000000 56 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 57 0.00155000 0.00777540 0.00000000 0.21803728 -0.73236052 58 0.00000000 0.00000000 -0.12142593 0.00000000 0.00000000 59 -0.00777540 0.00155000 0.00000000 -0.73236052 -0.21803728 60 0.00000000 0.00000000 0.10883100 0.00000000 0.00000000 61 0.46625547 2.33891374 0.00000000 0.00584700 -0.01963935 62 -1.04599402 0.20851578 0.00000000 -0.00878298 -0.00261486 63 0.00000000 0.00000000 1.04794482 0.00000000 0.00000000 64 0.20851578 1.04599402 0.00000000 0.00261486 -0.00878298 65 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 66 0.20849893 1.04590946 0.00000000 0.00261009 -0.00876699 67 -2.33891374 0.46625547 0.00000000 -0.01963935 -0.00584700 68 0.00000000 0.00000000 1.04794482 0.00000000 0.00000000 69 -1.04590946 0.20849893 0.00000000 -0.00876699 -0.00261009 70 0.00000000 0.00000000 2.34182628 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 -0.01498676 6 0.00000000 0.00000000 0.00000000 0.00000000 -0.00526711 7 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 8 0.00000000 0.00000000 0.00000000 0.00000000 0.05761155 9 0.00000000 0.00000000 0.00000000 0.00000000 0.02024764 10 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 11 0.00000000 0.00000000 0.00000000 0.00000000 -0.01225536 12 0.00000000 0.00000000 0.00000000 0.00000000 -0.00430716 13 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 14 0.09133401 0.00010442 -0.09269584 0.00020556 0.00000000 15 -0.00012057 0.10546343 0.00023736 0.10703594 0.00000000 16 0.00000000 0.00000000 0.00000000 0.00000000 0.10025622 17 -0.09133401 -0.00010442 0.09269584 -0.00020556 0.00000000 18 0.00000000 0.00000000 0.00000000 0.00000000 0.03523515 19 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 20 -0.65668525 -0.00075078 0.66648023 -0.00147797 0.00000000 21 0.00086692 -0.75827481 -0.00170662 -0.76958508 0.00000000 22 0.00000000 0.00000000 0.00000000 0.00000000 -0.72089464 23 0.65668525 0.00075078 -0.66648023 0.00147797 0.00000000 24 0.00000000 0.00000000 0.00000000 0.00000000 -0.25335914 25 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 26 0.00000000 0.00000000 0.00000000 0.00000000 -0.02180447 27 0.00000000 0.00000000 0.00000000 0.00000000 -0.00342709 28 -0.00000793 -0.00000001 0.00000801 -0.00000002 0.00000000 29 0.00000000 0.00000000 0.00000000 0.00000000 -0.00975125 30 0.00000001 -0.00000916 -0.00000002 -0.00000925 0.00000000 31 0.00000000 0.00000000 0.00000000 0.00000000 -0.00976564 32 0.00000000 0.00000000 0.00000000 0.00000000 -0.00766320 33 0.00000793 0.00000001 -0.00000801 0.00000002 0.00000000 34 0.00000000 0.00000000 0.00000000 0.00000000 -0.00343214 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 0.01499381 41 0.00000000 0.00000000 0.00000000 0.00000000 0.00526959 42 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 43 0.00000000 0.00000000 0.00000000 0.00000000 -0.05763865 44 0.00000000 0.00000000 0.00000000 0.00000000 -0.02025716 45 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 46 0.00000000 0.00000000 0.00000000 0.00000000 0.01226122 47 0.00000000 0.00000000 0.00000000 0.00000000 0.00430922 48 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 49 0.09269648 0.00010598 0.09133335 -0.00020254 0.00000000 50 -0.00012237 0.10703668 -0.00023387 -0.10546267 0.00000000 51 0.00000000 0.00000000 0.00000000 0.00000000 0.10020128 52 -0.09269648 -0.00010598 -0.09133335 0.00020254 0.00000000 53 0.00000000 0.00000000 0.00000000 0.00000000 0.03521584 54 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 55 -0.66648142 -0.00076198 -0.65668408 0.00145625 0.00000000 56 0.00087986 -0.76958646 0.00168153 0.75827345 0.00000000 57 0.00000000 0.00000000 0.00000000 0.00000000 -0.72049964 58 0.66648142 0.00076198 0.65668408 -0.00145625 0.00000000 59 0.00000000 0.00000000 0.00000000 0.00000000 -0.25322031 60 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 61 0.00000000 0.00000000 0.00000000 0.00000000 0.02181472 62 0.00000000 0.00000000 0.00000000 0.00000000 0.00342870 63 0.00000804 0.00000001 0.00000789 -0.00000002 0.00000000 64 0.00000000 0.00000000 0.00000000 0.00000000 0.00975584 65 -0.00000001 0.00000929 -0.00000002 -0.00000911 0.00000000 66 0.00000000 0.00000000 0.00000000 0.00000000 0.00977020 67 0.00000000 0.00000000 0.00000000 0.00000000 0.00766680 68 -0.00000804 -0.00000001 -0.00000789 0.00000002 0.00000000 69 0.00000000 0.00000000 0.00000000 0.00000000 0.00343375 70 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 26 27 28 29 30 1 0.00000000 0.01845098 -0.03909046 1.29973817 1.21920483 2 0.00000000 0.04054651 -0.08698025 -0.21940400 -0.16702068 3 0.00000000 -0.10654341 0.25573217 -4.23790988 -4.26065635 4 0.00000000 0.04461044 -0.13250384 0.29065633 0.41831638 5 0.00526711 0.00000000 0.00000000 0.00000000 0.00000000 6 -0.01498676 0.00000000 0.00000000 0.00000000 0.00000000 7 0.00000000 0.07017350 -0.32132663 -0.03399810 0.04004406 8 -0.02024764 0.00000000 0.00000000 0.00000000 0.00000000 9 0.05761155 0.00000000 0.00000000 0.00000000 0.00000000 10 0.00000000 -0.27096099 1.23196913 0.11844308 -0.16532217 11 0.00430716 0.00000000 0.00000000 0.00000000 0.00000000 12 -0.01225536 0.00000000 0.00000000 0.00000000 0.00000000 13 0.00000000 0.05636789 -0.26966412 -0.03905857 0.07376488 14 0.00000000 -0.05342385 -0.05106505 0.08901268 0.08621864 15 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 16 -0.03523515 0.00000000 0.00000000 0.00000000 0.00000000 17 0.00000000 -0.05342385 -0.05106505 0.08901268 0.08621864 18 0.10025622 0.00000000 0.00000000 0.00000000 0.00000000 19 0.00000000 0.10567298 0.10417224 0.09075743 0.08409059 20 0.00000000 0.38962134 0.35307910 1.33350038 1.31795761 21 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 22 0.25335914 0.00000000 0.00000000 0.00000000 0.00000000 23 0.00000000 0.38962134 0.35307910 1.33350038 1.31795761 24 -0.72089464 0.00000000 0.00000000 0.00000000 0.00000000 25 0.00000000 -0.75514405 -0.76959113 1.31289577 1.34800999 26 0.00766320 0.00000000 0.00000000 0.00000000 0.00000000 27 -0.00975125 0.00000000 0.00000000 0.00000000 0.00000000 28 0.00000000 0.04548048 -0.20963866 -0.02322285 0.02542443 29 0.00342709 0.00000000 0.00000000 0.00000000 0.00000000 30 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 31 0.00343214 0.00000000 0.00000000 0.00000000 0.00000000 32 -0.02180447 0.00000000 0.00000000 0.00000000 0.00000000 33 0.00000000 0.04548048 -0.20963866 -0.02322285 0.02542443 34 -0.00976564 0.00000000 0.00000000 0.00000000 0.00000000 35 0.00000000 0.10178358 -0.46828714 -0.05124423 0.05554831 36 0.00000000 0.01845045 0.03909068 1.29974957 -1.21919251 37 0.00000000 0.04054539 0.08698077 -0.21940549 0.16701852 38 0.00000000 -0.10654005 -0.25573352 -4.23795006 4.26061650 39 0.00000000 0.04460873 0.13250443 0.29066032 -0.41831370 40 -0.00526959 0.00000000 0.00000000 0.00000000 0.00000000 41 0.01499381 0.00000000 0.00000000 0.00000000 0.00000000 42 0.00000000 -0.07016942 -0.32132713 0.03399769 0.04004439 43 0.02025716 0.00000000 0.00000000 0.00000000 0.00000000 44 -0.05763865 0.00000000 0.00000000 0.00000000 0.00000000 45 0.00000000 0.27094539 1.23197111 -0.11844147 -0.16532328 46 -0.00430922 0.00000000 0.00000000 0.00000000 0.00000000 47 0.01226122 0.00000000 0.00000000 0.00000000 0.00000000 48 0.00000000 -0.05636445 -0.26966461 0.03905788 0.07376524 49 0.00000000 -0.05342450 0.05106435 0.08901350 -0.08621780 50 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 51 -0.03521584 0.00000000 0.00000000 0.00000000 0.00000000 52 0.00000000 -0.05342450 0.05106435 0.08901350 -0.08621780 53 0.10020128 0.00000000 0.00000000 0.00000000 0.00000000 54 0.00000000 0.10567432 -0.10417087 0.09075822 -0.08408974 55 0.00000000 0.38962589 -0.35307407 1.33351281 -1.31794507 56 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 57 0.25322031 0.00000000 0.00000000 0.00000000 0.00000000 58 0.00000000 0.38962589 -0.35307407 1.33351281 -1.31794507 59 -0.72049964 0.00000000 0.00000000 0.00000000 0.00000000 60 0.00000000 -0.75515401 0.76958136 1.31290848 -1.34799764 61 -0.00766680 0.00000000 0.00000000 0.00000000 0.00000000 62 0.00975584 0.00000000 0.00000000 0.00000000 0.00000000 63 0.00000000 -0.04547782 -0.20963898 0.02322259 0.02542465 64 -0.00342870 0.00000000 0.00000000 0.00000000 0.00000000 65 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 66 -0.00343375 0.00000000 0.00000000 0.00000000 0.00000000 67 0.02181472 0.00000000 0.00000000 0.00000000 0.00000000 68 0.00000000 -0.04547782 -0.20963898 0.02322259 0.02542465 69 0.00977020 0.00000000 0.00000000 0.00000000 0.00000000 70 0.00000000 -0.10177766 -0.46828785 0.05124367 0.05554880 31 32 33 34 35 1 -0.04677394 0.00000000 0.00000000 0.00000000 0.00000000 2 0.00162177 0.00000000 0.00000000 0.00000000 0.00000000 3 0.08505261 0.00000000 0.00000000 0.00000000 0.00000000 4 -0.03393471 0.00000000 0.00000000 0.00000000 0.00000000 5 0.00000000 1.14047269 -2.64761167 0.29233840 -2.88825502 6 0.00000000 -2.64761167 -1.14047269 -2.88825502 -0.29233840 7 2.81482744 0.00000000 0.00000000 0.00000000 0.00000000 8 0.00000000 -3.55011941 8.24161568 -0.91060375 8.99661427 9 0.00000000 8.24161568 3.55011941 8.99661427 0.91060375 10 -8.74037340 0.00000000 0.00000000 0.00000000 0.00000000 11 0.00000000 0.35541452 -0.82509616 0.09217268 -0.91065081 12 0.00000000 -0.82509616 -0.35541452 -0.91065081 -0.09217268 13 0.84276351 0.00000000 0.00000000 0.00000000 0.00000000 14 -0.00127032 0.00000000 0.00000000 0.00000000 0.00000000 15 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 16 0.00000000 -0.00007496 0.00017401 0.00002197 -0.00021709 17 -0.00127032 0.00000000 0.00000000 0.00000000 0.00000000 18 0.00000000 0.00017401 0.00007496 -0.00021709 -0.00002197 19 -0.00321405 0.00000000 0.00000000 0.00000000 0.00000000 20 -0.00354890 0.00000000 0.00000000 0.00000000 0.00000000 21 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 22 0.00000000 -0.00028400 0.00065932 0.00007322 -0.00072338 23 -0.00354890 0.00000000 0.00000000 0.00000000 0.00000000 24 0.00000000 0.00065932 0.00028400 -0.00072338 -0.00007322 25 -0.01065086 0.00000000 0.00000000 0.00000000 0.00000000 26 0.00000000 1.71138405 -3.97298457 0.43834356 -4.33076180 27 0.00000000 -1.77677272 -0.76535422 -1.93677555 -0.19603320 28 1.89277664 0.00000000 0.00000000 0.00000000 0.00000000 29 0.00000000 0.76535422 -1.77677272 0.19603320 -1.93677555 30 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 31 0.00000000 0.76545702 -1.77701138 0.19600617 -1.93650856 32 0.00000000 -3.97298457 -1.71138405 -4.33076180 -0.43834356 33 1.89277664 0.00000000 0.00000000 0.00000000 0.00000000 34 0.00000000 -1.77701138 -0.76545702 -1.93650856 -0.19600617 35 4.23497969 0.00000000 0.00000000 0.00000000 0.00000000 36 -0.04677384 0.00000000 0.00000000 0.00000000 0.00000000 37 0.00162183 0.00000000 0.00000000 0.00000000 0.00000000 38 0.08505229 0.00000000 0.00000000 0.00000000 0.00000000 39 -0.03393458 0.00000000 0.00000000 0.00000000 0.00000000 40 0.00000000 1.14048434 -2.64763873 -0.29233546 2.88822596 41 0.00000000 -2.64763873 -1.14048434 2.88822596 0.29233546 42 -2.81483074 0.00000000 0.00000000 0.00000000 0.00000000 43 0.00000000 -3.55015571 8.24169994 0.91059459 -8.99652381 44 0.00000000 8.24169994 3.55015571 -8.99652381 -0.91059459 45 8.74038370 0.00000000 0.00000000 0.00000000 0.00000000 46 0.00000000 0.35541820 -0.82510471 -0.09217176 0.91064177 47 0.00000000 -0.82510471 -0.35541820 0.91064177 0.09217176 48 -0.84276464 0.00000000 0.00000000 0.00000000 0.00000000 49 -0.00127032 0.00000000 0.00000000 0.00000000 0.00000000 50 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 51 0.00000000 0.00007496 -0.00017402 0.00002197 -0.00021708 52 -0.00127032 0.00000000 0.00000000 0.00000000 0.00000000 53 0.00000000 -0.00017402 -0.00007496 -0.00021708 -0.00002197 54 -0.00321406 0.00000000 0.00000000 0.00000000 0.00000000 55 -0.00354887 0.00000000 0.00000000 0.00000000 0.00000000 56 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 57 0.00000000 0.00028400 -0.00065931 0.00007322 -0.00072339 58 -0.00354887 0.00000000 0.00000000 0.00000000 0.00000000 59 0.00000000 -0.00065931 -0.00028400 -0.00072339 -0.00007322 60 -0.01065080 0.00000000 0.00000000 0.00000000 0.00000000 61 0.00000000 1.71140152 -3.97302511 -0.43833914 4.33071817 62 0.00000000 -1.77679085 -0.76536203 1.93675604 0.19603122 63 -1.89277883 0.00000000 0.00000000 0.00000000 0.00000000 64 0.00000000 0.76536203 -1.77679085 -0.19603122 1.93675604 65 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 66 0.00000000 0.76546483 -1.77702951 -0.19600420 1.93648905 67 0.00000000 -3.97302511 -1.71140152 4.33071817 0.43833914 68 -1.89277883 0.00000000 0.00000000 0.00000000 0.00000000 69 0.00000000 -1.77702951 -0.76546483 1.93648905 0.19600420 70 -4.23498457 0.00000000 0.00000000 0.00000000 0.00000000 36 37 38 39 40 1 0.00098269 0.00000000 0.00000000 0.00000000 0.00000000 2 -0.07110314 0.00000000 0.00000000 0.00000000 0.00000000 3 0.26514316 0.00000000 0.00000000 0.00000000 0.00000000 4 -0.14781716 0.00000000 0.00000000 0.00000000 0.00000000 5 0.00000000 -0.00138413 -0.00098631 0.00010670 -0.00000203 6 0.00000000 -0.00098631 0.00138413 -0.00000203 -0.00010670 7 -3.02908378 0.00000000 0.00000000 0.00000000 0.00000000 8 0.00000000 0.00424880 0.00302764 -0.00033516 0.00000639 9 0.00000000 0.00302764 -0.00424880 0.00000639 0.00033516 10 9.47646810 0.00000000 0.00000000 0.00000000 0.00000000 11 0.00000000 -0.00065472 -0.00046655 0.00005045 -0.00000096 12 0.00000000 -0.00046655 0.00065472 -0.00000096 -0.00005045 13 -1.02739473 0.00000000 0.00000000 0.00000000 0.00000000 14 0.00101608 0.00000000 0.00000000 0.00000000 0.00000000 15 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 16 0.00000000 -0.00000009 -0.00000007 0.00001909 -0.00000036 17 0.00101608 0.00000000 0.00000000 0.00000000 0.00000000 18 0.00000000 -0.00000007 0.00000009 -0.00000036 -0.00001909 19 -0.00296621 0.00000000 0.00000000 0.00000000 0.00000000 20 -0.04189428 0.00000000 0.00000000 0.00000000 0.00000000 21 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 22 0.00000000 -0.00000129 -0.00000092 -0.00002631 0.00000050 23 -0.04189428 0.00000000 0.00000000 0.00000000 0.00000000 24 0.00000000 -0.00000092 0.00000129 0.00000050 0.00002631 25 -0.05698129 0.00000000 0.00000000 0.00000000 0.00000000 26 0.00000000 -0.02453273 -0.01748167 -0.61148066 0.01166187 27 0.00000000 -0.00781805 0.01097138 0.00521535 0.27346252 28 -2.02379859 0.00000000 0.00000000 0.00000000 0.00000000 29 0.00000000 -0.01097137 -0.00781804 -0.27346252 0.00521535 30 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 31 0.00000000 0.03968234 0.02827706 1.09418180 -0.02086772 32 0.00000000 -0.01748168 0.02453274 0.01166187 0.61148066 33 -2.02379859 -0.00000000 0.00000000 0.00000000 -0.00000000 34 0.00000000 0.02827708 -0.03968235 -0.02086772 -1.09418180 35 -4.51974046 0.00000000 0.00000000 0.00000000 0.00000000 36 -0.00098256 0.00000000 0.00000000 0.00000000 0.00000000 37 0.07110312 0.00000000 0.00000000 0.00000000 0.00000000 38 -0.26514326 0.00000000 0.00000000 0.00000000 0.00000000 39 0.14781716 0.00000000 0.00000000 0.00000000 0.00000000 40 0.00000000 -0.00003906 -0.00002783 -0.00170196 0.00003246 41 0.00000000 -0.00002783 0.00003906 0.00003246 0.00170196 42 -3.02908077 0.00000000 0.00000000 0.00000000 0.00000000 43 0.00000000 0.00011372 0.00008103 0.00522512 -0.00009965 44 0.00000000 0.00008103 -0.00011372 -0.00009965 -0.00522512 45 9.47645872 0.00000000 0.00000000 0.00000000 0.00000000 46 0.00000000 -0.00001850 -0.00001318 -0.00080506 0.00001535 47 0.00000000 -0.00001318 0.00001850 0.00001535 0.00080506 48 -1.02739383 0.00000000 0.00000000 0.00000000 0.00000000 49 -0.00101607 0.00000000 0.00000000 0.00000000 0.00000000 50 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 51 0.00000000 -0.00001546 -0.00001102 0.00000184 -0.00000004 52 -0.00101607 0.00000000 0.00000000 0.00000000 0.00000000 53 0.00000000 -0.00001102 0.00001546 -0.00000004 -0.00000184 54 0.00296620 0.00000000 0.00000000 0.00000000 0.00000000 55 0.04189427 0.00000000 0.00000000 0.00000000 0.00000000 56 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 57 0.00000000 0.00002145 0.00001528 -0.00000081 0.00000002 58 0.04189427 0.00000000 0.00000000 0.00000000 0.00000000 59 0.00000000 0.00001528 -0.00002145 0.00000002 0.00000081 60 0.05698128 0.00000000 0.00000000 0.00000000 0.00000000 61 0.00000000 -0.49824399 -0.35504160 0.02549931 -0.00048631 62 0.00000000 -0.15877946 0.22282153 -0.00021748 -0.01140365 63 -2.02379655 -0.00000000 -0.00000000 0.00000000 0.00000000 64 0.00000000 -0.22282153 -0.15877946 0.01140364 -0.00021748 65 0.00000000 0.00000000 0.00000000 0.00000000 -0.00000000 66 0.00000000 0.89117375 0.63503778 -0.05078356 0.00096852 67 0.00000000 -0.35504160 0.49824399 -0.00048631 -0.02549933 68 -2.02379655 0.00000000 0.00000000 0.00000000 0.00000000 69 0.00000000 0.63503778 -0.89117375 0.00096851 0.05078358 70 -4.51973589 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 0.00000003 0.00000000 -0.00001264 0.00000002 0.00000000 15 0.00000000 -0.00000004 -0.00000002 -0.00001460 0.00000000 16 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 17 -0.00000003 0.00000000 0.00001264 -0.00000002 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 0.00000002 0.00000000 0.00001749 -0.00000003 0.00000000 21 0.00000000 -0.00000002 0.00000003 0.00002019 0.00000000 22 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 23 -0.00000002 0.00000000 -0.00001749 0.00000003 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 0.00000001 27 0.00000000 -0.00000000 0.00000000 0.00000000 -0.00000602 28 -0.00026567 -0.00000019 -0.86602435 0.00132154 0.00000000 29 -0.00000000 0.00000000 0.00000000 -0.00000000 -0.00000001 30 -0.00000021 0.00030678 -0.00152599 -0.99999879 -0.00000000 31 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 32 -0.00000000 0.00000000 0.00000000 0.00000000 0.00000448 33 0.00026567 0.00000019 0.86602435 -0.00132154 -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 -0.00001263 -0.00000001 0.00000004 0.00000000 0.00000000 50 -0.00000001 0.00001458 0.00000000 0.00000005 0.00000000 51 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 52 0.00001263 0.00000001 -0.00000004 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 0.00001747 0.00000001 0.00000001 0.00000000 0.00000000 56 0.00000001 -0.00002018 0.00000000 0.00000001 0.00000000 57 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 58 -0.00001747 -0.00000001 -0.00000001 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 0.00212062 62 0.00000000 0.00000000 -0.00000000 0.00000000 -1.06065635 63 0.86602516 0.00059780 -0.00026567 0.00000041 0.00000000 64 0.00000000 0.00000000 0.00000000 -0.00000000 -0.00284511 65 0.00069028 -0.99999971 -0.00000046 -0.00030678 0.00000000 66 0.00000000 0.00000000 0.00000000 0.00000000 -0.00000000 67 -0.00000000 0.00000000 0.00000000 0.00000000 0.79056659 68 -0.86602516 -0.00059780 0.00026567 -0.00000041 -0.00000000 69 0.00000000 -0.00000000 0.00000000 0.00000000 -0.00000004 70 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 46 47 48 49 50 1 0.00000000 0.00000000 0.00000000 0.00944397 0.01596316 2 0.00000000 0.00000000 0.00000000 -0.00779788 -0.01294627 3 0.00000000 0.00000000 0.00000000 0.00903405 0.01452613 4 0.00000000 0.00000000 0.00000000 -0.00858901 -0.01585741 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 -0.00608268 -0.01504109 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 0.01836958 0.04682305 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 -0.00253711 -0.00782049 14 0.00000000 0.00000000 0.00000000 0.00017668 0.00054900 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 0.00017668 0.00054900 18 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 19 0.00000000 0.00000000 0.00000000 0.00032647 0.00021411 20 0.00000000 0.00000000 0.00000000 -0.00252336 -0.00374627 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 -0.00252336 -0.00374627 24 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 25 0.00000000 0.00000000 0.00000000 -0.00244016 -0.00396538 26 -0.00000447 -0.74920589 0.25236991 0.00000000 0.00000000 27 -0.00000002 -0.33858975 -1.00516514 0.00000000 0.00000000 28 0.00000000 0.00000000 -0.00000000 -0.47752050 0.46560981 29 0.00000600 1.00516514 -0.33858975 0.00000000 0.00000000 30 -0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 31 0.00000000 0.00000004 -0.00000001 0.00000000 0.00000000 32 0.00000001 0.25236991 0.74920589 0.00000000 0.00000000 33 -0.00000000 0.00000000 0.00000000 -0.47752050 0.46560981 34 0.00000000 -0.00000001 -0.00000004 0.00000000 0.00000000 35 0.00000000 0.00000000 0.00000000 0.69821175 -0.72842989 36 0.00000000 0.00000000 0.00000000 0.00941157 -0.01598229 37 0.00000000 0.00000000 0.00000000 -0.00777160 0.01296206 38 0.00000000 0.00000000 0.00000000 0.00900456 -0.01454442 39 0.00000000 0.00000000 0.00000000 -0.00855682 0.01587480 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 0.00605215 -0.01505339 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 -0.01827455 0.04686020 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 0.00252124 -0.00782562 49 0.00000000 0.00000000 0.00000000 0.00017557 -0.00054935 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 0.00017557 -0.00054935 53 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 54 0.00000000 0.00000000 0.00000000 0.00032602 -0.00021478 55 0.00000000 0.00000000 0.00000000 -0.00251577 0.00375137 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 -0.00251577 0.00375137 59 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 60 0.00000000 0.00000000 0.00000000 -0.00243209 0.00397033 61 -0.79056659 0.00000423 -0.00000143 0.00000000 0.00000000 62 -0.00284511 0.00000193 0.00000570 0.00000000 0.00000000 63 0.00000000 0.00000000 0.00000000 0.47846400 0.46464021 64 1.06065635 -0.00000568 0.00000191 0.00000000 0.00000000 65 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 66 0.00000004 0.00000000 0.00000000 0.00000000 0.00000000 67 0.00212062 -0.00000144 -0.00000425 0.00000000 0.00000000 68 0.00000000 -0.00000000 0.00000000 0.47846400 0.46464021 69 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 70 0.00000000 0.00000000 0.00000000 -0.69968794 -0.72701207 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 -0.00002199 0.00186835 0.00000000 0.00000000 0.00000000 6 -0.00186835 -0.00002199 0.00000000 0.00000000 0.00000000 7 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 8 0.00004678 -0.00397549 0.00000000 0.00000000 0.00000000 9 0.00397549 0.00004678 0.00000000 0.00000000 0.00000000 10 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 11 -0.00001242 0.00105531 0.00000000 0.00000000 0.00000000 12 -0.00105531 -0.00001242 0.00000000 0.00000000 0.00000000 13 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 14 0.00000000 0.00000000 -0.00063670 0.72516152 0.00088367 15 0.00000000 0.00000000 0.83734440 0.00073519 -0.89194797 16 -0.01016789 0.86402028 0.00000000 0.00000000 0.00000000 17 0.00000000 0.00000000 0.00063670 -0.72516152 -0.00088367 18 -0.86402028 -0.01016789 0.00000000 0.00000000 -0.00000000 19 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 20 0.00000000 0.00000000 0.00030879 -0.35169626 -0.00042857 21 0.00000000 0.00000000 -0.40610387 -0.00035656 0.43258690 22 0.00493120 -0.41903073 0.00000000 0.00000000 0.00000000 23 0.00000000 0.00000000 -0.00030879 0.35169626 0.00042857 24 0.41903073 0.00493120 0.00000000 0.00000000 0.00000000 25 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 26 -0.00001484 0.00126135 0.00000000 0.00000000 0.00000000 27 -0.00056409 -0.00000664 0.00000000 0.00000000 0.00000000 28 0.00000000 0.00000000 0.00000001 -0.00000610 -0.00000001 29 -0.00000664 0.00056409 0.00000000 0.00000000 0.00000000 30 0.00000000 0.00000000 -0.00000704 -0.00000001 0.00000756 31 -0.00000650 0.00055216 0.00000000 0.00000000 0.00000000 32 -0.00126135 -0.00001484 0.00000000 0.00000000 0.00000000 33 0.00000000 0.00000000 -0.00000001 0.00000610 0.00000001 34 -0.00055216 -0.00000650 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 -0.00002193 0.00186386 0.00000000 0.00000000 0.00000000 41 -0.00186386 -0.00002193 0.00000000 0.00000000 0.00000000 42 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 43 0.00004667 -0.00396577 0.00000000 0.00000000 0.00000000 44 0.00396577 0.00004667 0.00000000 0.00000000 0.00000000 45 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 46 -0.00001239 0.00105282 0.00000000 0.00000000 0.00000000 47 -0.00105282 -0.00001239 0.00000000 0.00000000 0.00000000 48 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 49 0.00000000 0.00000000 -0.00067821 0.77244963 -0.00082958 50 -0.00000000 0.00000000 0.89194800 0.00078313 0.83734440 51 0.01019127 -0.86600709 0.00000000 -0.00000000 0.00000000 52 0.00000000 0.00000000 0.00067821 -0.77244963 0.00082958 53 0.86600709 0.01019127 0.00000000 -0.00000000 0.00000000 54 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 55 0.00000000 0.00000000 0.00032893 -0.37463059 0.00040234 56 0.00000000 0.00000000 -0.43258614 -0.00037981 -0.40610470 57 -0.00494254 0.41999434 0.00000000 0.00000000 0.00000000 58 0.00000000 0.00000000 -0.00032893 0.37463059 -0.00040234 59 -0.41999434 -0.00494254 0.00000000 0.00000000 0.00000000 60 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 61 -0.00001481 0.00125820 0.00000000 0.00000000 0.00000000 62 -0.00056268 -0.00000662 0.00000000 0.00000000 0.00000000 63 0.00000000 0.00000000 -0.00000001 0.00000649 -0.00000001 64 -0.00000662 0.00056268 0.00000000 0.00000000 0.00000000 65 0.00000000 0.00000000 0.00000750 0.00000001 0.00000710 66 -0.00000648 0.00055073 0.00000000 0.00000000 0.00000000 67 -0.00125820 -0.00001481 0.00000000 0.00000000 0.00000000 68 0.00000000 0.00000000 0.00000001 -0.00000649 0.00000001 69 -0.00055073 -0.00000648 0.00000000 0.00000000 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 -0.10778739 0.16621567 2 0.00000000 0.00000000 0.00000000 0.05224735 -0.08128403 3 0.00000000 0.00000000 0.00000000 0.01625759 -0.02290029 4 0.00000000 0.00000000 0.00000000 0.05102389 -0.08452906 5 0.00000000 0.00020237 -0.00196059 0.00000000 0.00000000 6 0.00000000 0.00196059 0.00020237 0.00000000 0.00000000 7 0.00000000 0.00000000 0.00000000 0.01142002 -0.02832129 8 0.00000000 -0.00043997 0.00426259 0.00000000 0.00000000 9 0.00000000 -0.00426259 -0.00043997 0.00000000 0.00000000 10 0.00000000 0.00000000 0.00000000 -0.02227619 0.06615469 11 0.00000000 0.00011183 -0.00108340 0.00000000 0.00000000 12 0.00000000 0.00108340 0.00011183 0.00000000 0.00000000 13 0.00000000 0.00000000 0.00000000 0.00546064 -0.01772450 14 0.77244961 -0.00000000 0.00000000 -0.43360194 -0.43074761 15 0.00102038 0.00000000 0.00000000 0.00000000 0.00000000 16 0.00000000 -0.08892129 0.86149636 0.00000000 0.00000000 17 -0.77244961 0.00000000 -0.00000000 -0.43360194 -0.43074761 18 0.00000000 -0.86149636 -0.08892129 0.00000000 0.00000000 19 0.00000000 0.00000000 0.00000000 0.86401901 0.86716115 20 -0.37463124 0.00000000 0.00000000 0.21333715 0.20521275 21 -0.00049487 0.00000000 0.00000000 0.00000000 0.00000000 22 0.00000000 0.04312713 -0.41782873 0.00000000 0.00000000 23 0.37463124 0.00000000 0.00000000 0.21333715 0.20521275 24 0.00000000 0.41782873 0.04312713 0.00000000 0.00000000 25 0.00000000 0.00000000 0.00000000 -0.41639374 -0.42548026 26 0.00000000 0.00014347 -0.00138998 0.00000000 0.00000000 27 0.00000000 0.00062162 0.00006416 0.00000000 0.00000000 28 -0.00000655 0.00000000 0.00000000 0.00305130 -0.00990106 29 0.00000000 0.00006416 -0.00062162 0.00000000 0.00000000 30 -0.00000001 0.00000000 0.00000000 0.00000000 0.00000000 31 0.00000000 0.00006559 -0.00063544 0.00000000 0.00000000 32 0.00000000 0.00138998 0.00014347 0.00000000 0.00000000 33 0.00000655 0.00000000 0.00000000 0.00305130 -0.00990106 34 0.00000000 0.00063544 0.00006559 0.00000000 0.00000000 35 0.00000000 0.00000000 0.00000000 0.00653973 -0.02273254 36 0.00000000 0.00000000 0.00000000 -0.10776883 -0.16622777 37 0.00000000 0.00000000 0.00000000 0.05223826 0.08128988 38 0.00000000 0.00000000 0.00000000 0.01625505 0.02290213 39 0.00000000 0.00000000 0.00000000 0.05101444 0.08453478 40 0.00000000 -0.00020280 0.00196482 0.00000000 0.00000000 41 0.00000000 -0.00196482 -0.00020280 0.00000000 0.00000000 42 0.00000000 0.00000000 0.00000000 -0.01141689 -0.02832252 43 0.00000000 0.00044090 -0.00427153 0.00000000 0.00000000 44 0.00000000 0.00427153 0.00044090 0.00000000 0.00000000 45 0.00000000 0.00000000 0.00000000 0.02226891 0.06615702 46 0.00000000 -0.00011207 0.00108580 0.00000000 0.00000000 47 0.00000000 -0.00108580 -0.00011207 0.00000000 0.00000000 48 0.00000000 0.00000000 0.00000000 -0.00545867 -0.01772510 49 -0.72516152 -0.00000000 0.00000000 -0.43365015 0.43069908 50 -0.00095791 0.00000000 0.00000000 0.00000000 0.00000000 51 0.00000000 -0.08871729 0.85951993 0.00000000 0.00000000 52 0.72516152 0.00000000 0.00000000 -0.43365015 0.43069908 53 0.00000000 -0.85951993 -0.08871729 0.00000000 0.00000000 54 0.00000000 0.00000000 0.00000000 0.86411607 -0.86706444 55 0.35169699 0.00000000 0.00000000 0.21336012 -0.20518888 56 0.00046458 0.00000000 0.00000000 0.00000000 0.00000000 57 0.00000000 0.04302820 -0.41687021 0.00000000 0.00000000 58 -0.35169699 0.00000000 0.00000000 0.21336012 -0.20518888 59 0.00000000 0.41687021 0.04302820 0.00000000 0.00000000 60 0.00000000 0.00000000 0.00000000 -0.41644137 0.42543366 61 0.00000000 -0.00014376 0.00139280 0.00000000 0.00000000 62 0.00000000 -0.00062288 -0.00006429 0.00000000 0.00000000 63 -0.00000614 0.00000000 0.00000000 -0.00305021 -0.00990137 64 0.00000000 -0.00006429 0.00062288 0.00000000 0.00000000 65 -0.00000001 0.00000000 0.00000000 0.00000000 0.00000000 66 0.00000000 -0.00006571 0.00063666 0.00000000 0.00000000 67 0.00000000 -0.00139280 -0.00014376 0.00000000 0.00000000 68 0.00000614 0.00000000 0.00000000 -0.00305021 -0.00990137 69 0.00000000 -0.00063666 -0.00006571 0.00000000 0.00000000 70 0.00000000 0.00000000 0.00000000 -0.00653727 -0.02273318 61 62 63 64 65 1 10.51746854 -10.34920018 1.19099219 0.00000000 0.00000000 2 -2.38861770 2.31384688 -0.26685558 0.00000000 0.00000000 3 -6.93277386 6.85381017 -0.75787439 0.00000000 0.00000000 4 -2.80080434 2.71438427 -0.33910725 0.00000000 0.00000000 5 0.00000000 0.00000000 0.00000000 -0.46880635 -0.82920748 6 0.00000000 0.00000000 0.00000000 0.82920748 -0.46880635 7 -0.11700628 0.11194547 0.89724950 0.00000000 0.00000000 8 0.00000000 0.00000000 0.00000000 3.13037173 5.53688677 9 0.00000000 0.00000000 0.00000000 -5.53688677 3.13037173 10 0.76715805 -0.82879582 -6.14741924 0.00000000 0.00000000 11 0.00000000 0.00000000 0.00000000 -0.23025086 -0.40725928 12 0.00000000 0.00000000 0.00000000 0.40725928 -0.23025086 13 -0.06953719 0.03930094 0.43394510 0.00000000 0.00000000 14 -0.41512072 0.41516977 -0.05462213 0.00000000 0.00000000 15 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 16 0.00000000 0.00000000 0.00000000 -0.00036589 -0.00064718 17 -0.41512072 0.41516977 -0.05462213 0.00000000 0.00000000 18 0.00000000 0.00000000 0.00000000 0.00064718 -0.00036589 19 -0.40602489 0.42764489 -0.04588532 0.00000000 0.00000000 20 0.68504536 -0.67091924 0.07679639 0.00000000 0.00000000 21 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 22 0.00000000 0.00000000 0.00000000 0.00029274 0.00051778 23 0.68504536 -0.67091924 0.07679639 0.00000000 0.00000000 24 0.00000000 0.00000000 0.00000000 -0.00051778 0.00029274 25 0.67598611 -0.68291366 0.06969861 0.00000000 0.00000000 26 0.00000000 0.00000000 0.00000000 -1.75752097 -3.10863867 27 0.00000000 0.00000000 0.00000000 1.39022548 -0.78598727 28 -0.19007533 0.21462468 1.55267398 0.00000000 0.00000000 29 0.00000000 0.00000000 0.00000000 -0.78598727 -1.39022548 30 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 31 0.00000000 0.00000000 0.00000000 -0.78593694 -1.39013646 32 0.00000000 0.00000000 0.00000000 3.10863867 -1.75752097 33 -0.19007533 0.21462468 1.55267398 0.00000000 0.00000000 34 0.00000000 0.00000000 0.00000000 1.39013646 -0.78593694 35 -0.42644919 0.47799782 3.47065176 0.00000000 0.00000000 36 10.51778116 10.34888421 1.19098510 0.00000000 0.00000000 37 -2.38868757 -2.31377510 -0.26685386 0.00000000 0.00000000 38 -6.93298097 -6.85360190 -0.75787008 0.00000000 0.00000000 39 -2.80088631 -2.71430015 -0.33910517 0.00000000 0.00000000 40 0.00000000 0.00000000 0.00000000 -0.46882116 -0.82923369 41 0.00000000 0.00000000 0.00000000 0.82923369 -0.46882116 42 0.11700937 0.11194092 -0.89725315 0.00000000 0.00000000 43 0.00000000 0.00000000 0.00000000 3.13046987 5.53706035 44 0.00000000 0.00000000 0.00000000 -5.53706035 3.13046987 45 -0.76718113 -0.82876560 6.14744236 0.00000000 0.00000000 46 0.00000000 0.00000000 0.00000000 -0.23025816 -0.40727219 47 0.00000000 0.00000000 0.00000000 0.40727219 -0.23025816 48 0.06953822 0.03929835 -0.43394693 0.00000000 0.00000000 49 -0.41513327 -0.41515732 -0.05462184 0.00000000 0.00000000 50 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 51 0.00000000 0.00000000 0.00000000 0.00036588 0.00064715 52 -0.41513327 -0.41515732 -0.05462184 0.00000000 0.00000000 53 0.00000000 0.00000000 0.00000000 -0.00064715 0.00036588 54 -0.40603782 -0.42763269 -0.04588508 0.00000000 0.00000000 55 0.68506564 0.67089868 0.07679598 0.00000000 0.00000000 56 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 57 0.00000000 0.00000000 0.00000000 -0.00029273 -0.00051776 58 0.68506564 0.67089868 0.07679598 0.00000000 0.00000000 59 0.00000000 0.00000000 0.00000000 0.00051776 -0.00029273 60 0.67600676 0.68289336 0.06969824 0.00000000 0.00000000 61 0.00000000 0.00000000 0.00000000 -1.75757597 -3.10873596 62 0.00000000 0.00000000 0.00000000 1.39026898 -0.78601187 63 0.19008133 0.21461716 -1.55267972 0.00000000 0.00000000 64 0.00000000 0.00000000 0.00000000 -0.78601187 -1.39026898 65 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 66 0.00000000 0.00000000 0.00000000 -0.78596154 -1.39017997 67 0.00000000 0.00000000 0.00000000 3.10873596 -1.75757597 68 0.19008133 0.21461716 -1.55267972 0.00000000 0.00000000 69 0.00000000 0.00000000 0.00000000 1.39017997 -0.78596154 70 0.42646254 0.47798095 -3.47066460 0.00000000 0.00000000 66 67 68 69 70 1 0.00000000 0.00000000 -1.46480004 -54.02430687 54.36593165 2 0.00000000 0.00000000 0.28004413 26.19470323 -26.32638984 3 0.00000000 0.00000000 1.08166106 31.82118651 -32.11978577 4 0.00000000 0.00000000 0.31803897 15.23138825 -15.20964250 5 -0.45595058 -0.85343349 0.00000000 0.00000000 0.00000000 6 0.85343349 -0.45595058 0.00000000 0.00000000 0.00000000 7 0.00000000 0.00000000 -1.05346760 0.01677540 0.07308029 8 3.02171030 5.65593919 0.00000000 0.00000000 0.00000000 9 -5.65593919 3.02171030 0.00000000 0.00000000 0.00000000 10 0.00000000 0.00000000 6.67804396 -0.05993746 -0.27094006 11 -0.22464033 -0.42047447 0.00000000 0.00000000 0.00000000 12 0.42047447 -0.22464033 0.00000000 0.00000000 0.00000000 13 0.00000000 0.00000000 -0.53480829 0.03637155 0.07688868 14 0.00000000 0.00000000 0.06093163 -3.50112128 3.52202199 15 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 16 0.00035261 0.00066000 0.00000000 0.00000000 0.00000000 17 0.00000000 0.00000000 0.06093163 -3.50112128 3.52202199 18 -0.00066000 0.00035261 0.00000000 0.00000000 0.00000000 19 0.00000000 0.00000000 0.07744582 -3.50786160 3.51226170 20 0.00000000 0.00000000 -0.10766915 -3.26634790 3.29055863 21 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 22 -0.00028280 -0.00052934 0.00000000 0.00000000 0.00000000 23 0.00000000 0.00000000 -0.10766915 -3.26634790 3.29055863 24 0.00052934 -0.00028280 0.00000000 0.00000000 0.00000000 25 0.00000000 0.00000000 -0.12178840 -3.25314313 3.30875236 26 -1.69368784 -3.17018988 0.00000000 0.00000000 0.00000000 27 1.41775201 -0.75744023 0.00000000 0.00000000 0.00000000 28 0.00000000 0.00000000 -1.65573884 0.00870538 0.05121061 29 -0.75744023 -1.41775201 0.00000000 0.00000000 0.00000000 30 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 31 -0.75748850 -1.41784236 0.00000000 0.00000000 0.00000000 32 3.17018988 -1.69368784 0.00000000 0.00000000 0.00000000 33 0.00000000 0.00000000 -1.65573884 0.00870538 0.05121061 34 1.41784236 -0.75748850 0.00000000 0.00000000 0.00000000 35 0.00000000 0.00000000 -3.70476658 0.02133721 0.11716459 36 0.00000000 0.00000000 1.46479308 -54.02435303 -54.36588580 37 0.00000000 0.00000000 -0.28004259 26.19472558 26.32636760 38 0.00000000 0.00000000 -1.08165658 31.82121378 32.11975876 39 0.00000000 0.00000000 -0.31803704 15.23140116 15.20962957 40 0.45593665 0.85340741 0.00000000 0.00000000 0.00000000 41 -0.85340741 0.45593665 0.00000000 0.00000000 0.00000000 42 0.00000000 0.00000000 -1.05346471 -0.01677535 0.07308030 43 -3.02161721 -5.65576495 0.00000000 0.00000000 0.00000000 44 5.65576495 -3.02161721 0.00000000 0.00000000 0.00000000 45 0.00000000 0.00000000 6.67802401 0.05993725 -0.27094010 46 0.22463348 0.42046166 0.00000000 0.00000000 0.00000000 47 -0.42046166 0.22463348 0.00000000 0.00000000 0.00000000 48 0.00000000 0.00000000 -0.53480689 -0.03637148 0.07688871 49 0.00000000 0.00000000 -0.06093131 -3.50112427 -3.52201901 50 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 51 0.00035262 0.00066003 0.00000000 0.00000000 0.00000000 52 0.00000000 0.00000000 -0.06093131 -3.50112427 -3.52201901 53 -0.00066003 0.00035262 0.00000000 0.00000000 0.00000000 54 0.00000000 0.00000000 -0.07744554 -3.50786458 -3.51225872 55 0.00000000 0.00000000 0.10766871 -3.26635070 -3.29055586 56 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 57 -0.00028281 -0.00052936 0.00000000 0.00000000 0.00000000 58 0.00000000 0.00000000 0.10766871 -3.26635070 -3.29055586 59 0.00052936 -0.00028281 0.00000000 0.00000000 0.00000000 60 0.00000000 0.00000000 0.12178798 -3.25314594 -3.30874960 61 1.69363557 3.17009204 0.00000000 0.00000000 0.00000000 62 -1.41770826 0.75741685 0.00000000 0.00000000 0.00000000 63 0.00000000 0.00000000 -1.65573380 -0.00870534 0.05121061 64 0.75741685 1.41770826 0.00000000 0.00000000 0.00000000 65 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 66 0.75746512 1.41779861 0.00000000 0.00000000 0.00000000 67 -3.17009204 1.69363557 0.00000000 0.00000000 0.00000000 68 0.00000000 0.00000000 -1.65573380 -0.00870534 0.05121061 69 -1.41779861 0.75746512 0.00000000 0.00000000 0.00000000 70 0.00000000 0.00000000 -3.70475531 -0.02133712 0.11716460 --------------------------------------- UHF spin-up orbital energies --------------------------------------- 1 1 -0.50532982 2 -0.49463401 3 0.22333615 4 0.26300072 5 0.44515813 6 0.47353045 7 0.47353045 8 0.48320344 9 0.48320344 10 0.54590822 11 1.12673179 12 1.13009662 13 1.76830914 14 1.81779284 15 1.81779284 16 1.83348685 17 1.83348685 18 1.91679061 19 2.06810981 20 2.06810981 21 2.06823218 22 2.06823218 23 2.06824116 24 2.06824116 25 2.06836739 26 2.06836739 27 2.06990945 28 2.07852858 29 3.04893842 30 3.06820652 31 4.37672695 32 4.42304497 33 4.42304497 34 4.43895480 35 4.43895480 36 4.52695028 37 6.05516422 38 6.05516422 39 6.05516601 40 6.05516601 41 6.05517208 42 6.05517208 43 6.05517233 44 6.05517233 45 6.05518199 46 6.05518199 47 6.05518215 48 6.05518215 49 6.05523177 50 6.05532211 51 8.12101749 52 8.12101749 53 8.12107760 54 8.12107760 55 8.12108172 56 8.12108172 57 8.12112678 58 8.12112678 59 8.12180827 60 8.12396249 61 9.63586694 62 9.64572405 63 9.67370126 64 9.69651717 65 9.69651717 66 9.70436910 67 9.70436910 68 9.74870688 69 22.32360960 70 22.54343856 --------------------------------------- UHF spin-down orbital energies --------------------------------------- 1 1 0.03160838 2 0.06410082 3 0.34769876 4 0.36214139 5 0.51022562 6 0.53964310 7 0.53964310 8 0.54980294 9 0.54980294 10 0.61568017 11 1.22234011 12 1.22414121 13 1.83900396 14 1.88694992 15 1.88694992 16 1.90221614 17 1.90221614 18 1.98257524 19 2.11294921 20 2.11294921 21 2.11304795 22 2.11304795 23 2.11305560 24 2.11305560 25 2.11315725 26 2.11315725 27 2.11484435 28 2.12381363 29 3.12483187 30 3.14373946 31 4.42589545 32 4.47141327 33 4.47141327 34 4.48705518 35 4.48705518 36 4.57366217 37 6.08689194 38 6.08689194 39 6.08689211 40 6.08689211 41 6.08689942 42 6.08689942 43 6.08689960 44 6.08689960 45 6.08691049 46 6.08691049 47 6.08691066 48 6.08691066 49 6.08696024 50 6.08704524 51 8.16520150 52 8.16520150 53 8.16525874 54 8.16525874 55 8.16526250 56 8.16526250 57 8.16530468 58 8.16530468 59 8.16599525 60 8.16811430 61 9.69776853 62 9.70729738 63 9.71720751 64 9.73964308 65 9.73964308 66 9.74740766 67 9.74740766 68 9.79157607 69 22.33561744 70 22.55549581 Total CPU time for UHF = 1.280 seconds AO to MO transformation... Please be patient Total CPU time for AO to MO transformation = 15.358 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 | 0.736061 | 20.029237 | | 2 | 0.742866 | 20.214402 | | 3 | 0.790580 | 21.512789 | | 4 | 0.797033 | 21.688365 | | 5 | 0.961739 | 26.170243 | | 6 | 0.975085 | 26.533409 | | 7 | 0.976699 | 26.577331 | | 8 | 0.976699 | 26.577331 | | 9 | 0.978371 | 26.622830 | | 10 | 0.978371 | 26.622830 | | 11 | 1.040871 | 28.323555 | | 12 | 1.040871 | 28.323555 | | 13 | 1.044688 | 28.427407 | | 14 | 1.044688 | 28.427407 | | 15 | 1.085344 | 29.533725 | | 16 | 1.088490 | 29.619330 | | 17 | 1.628249 | 44.306921 | | 18 | 1.628496 | 44.313638 | | 19 | 1.705377 | 46.405673 | | 20 | 1.705684 | 46.414027 | ------------------------------------------------------------- *** 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| -13.750725 0.860108| 0.018920 -0.697138| 0.964666 0.983963| -13.732473 0.174150| | 2| -13.459677 1.744272| 0.009026 -0.823551| 0.964363 0.980850| -13.450973 0.936493| | 3| 6.077286 9.461365| -0.158977 -1.060236| 0.993856 0.967682| 5.919286 8.435394| | 4| 7.156614 9.854369| -0.135384 -0.905102| 0.994942 0.971755| 7.021915 8.974831| | 5| 12.113370 13.883946| -0.263234 -0.547481| 0.991320 0.979010| 11.852420 13.347957| | 6| 12.885420 14.684437| -0.281571 -0.562132| 0.990875 0.979014| 12.606418 14.134102| | 7| 12.885420 14.684437| -0.281571 -0.562132| 0.990875 0.979014| 12.606418 14.134102| | 8| 13.148635 14.960900| -0.289378 -0.574833| 0.990618 0.978361| 12.861972 14.398506| | 9| 13.148635 14.960900| -0.289378 -0.574833| 0.990618 0.978361| 12.861972 14.398506| | 10| 14.854919 16.753511| -0.343114 -0.684483| 0.988676 0.969053| 14.515691 16.090210| | 11| 30.659934 33.261569| -0.563440 -0.479841| 0.814365 0.598427| 30.201088 32.974419| | 12| 30.751495 33.310579| -0.566487 -0.462143| 0.829224 0.630160| 30.281751 33.019355| | 13| 48.118143 50.041847| -0.733817 -0.881094| 0.943729 0.925649| 47.425619 49.226263| | 14| 49.464663 51.346523| -0.831524 -1.020656| 0.949120 0.933246| 48.675447 50.393999| | 15| 49.464663 51.346523| -0.831524 -1.020656| 0.949120 0.933246| 48.675447 50.393999| | 16| 49.891719 51.761938| -0.856738 -1.053937| 0.947290 0.931587| 49.080139 50.780104| | 17| 49.891719 51.761938| -0.856738 -1.053937| 0.947290 0.931587| 49.080139 50.780104| | 18| 52.158529 53.948620| -1.029896 -1.176552| 0.812232 0.754664| 51.322014 53.060719| | 19| 56.276134 57.496277| -0.559677 -0.653369| 0.946374 0.946562| 55.746471 56.877822| | 20| 56.276134 57.496277| -0.559677 -0.653369| 0.946374 0.946562| 55.746471 56.877822| | 21| 56.279464 57.498963| -0.558133 -0.658136| 0.955754 0.950991| 55.746026 56.873082| | 22| 56.279464 57.498963| -0.558133 -0.658136| 0.955754 0.950991| 55.746026 56.873082| | 23| 56.279709 57.499172| -0.557273 -0.657202| 0.955698 0.950928| 55.747124 56.874220| | 24| 56.279709 57.499172| -0.557273 -0.657202| 0.955698 0.950928| 55.747124 56.874220| | 25| 56.283143 57.501938| -0.550222 -0.645053| 0.948221 0.946744| 55.761411 56.891237| | 26| 56.283143 57.501938| -0.550222 -0.645053| 0.948221 0.946744| 55.761411 56.891237| | 27| 56.325105 57.547846| -0.596234 -0.661452| 0.822482 0.934522| 55.834714 56.929705| | 28| 56.559643 57.791912| -0.583438 -0.696009| 0.880353 0.930496| 56.046012 57.144279| | 29| 82.965840 85.031006| 0.745667 0.513828| 0.569065 0.629111| 83.390173 85.354261| | 30| 83.490152 85.545508| 0.568438 0.340871| 0.642691 0.669740| 83.855482 85.773803| | 31| 119.096806 120.434750| -0.562993 -0.591957| 0.837746 0.864767| 118.625161 119.922845| | 32| 120.357184 121.673353| -0.696236 -0.741277| 0.790894 0.836178| 119.806536 121.053513| | 33| 120.357184 121.673353| -0.696236 -0.741277| 0.790894 0.836178| 119.806536 121.053513| | 34| 120.790113 122.098991| -0.668303 -0.776414| 0.724371 0.829841| 120.306013 121.454690| | 35| 120.790113 122.098991| -0.668303 -0.776414| 0.724371 0.829841| 120.306013 121.454690| | 36| 123.184592 124.455687| -0.798387 -0.850136| 0.807174 0.890257| 122.540155 123.698847| | 37| 164.769411 165.632766| -0.761443 -0.799880| 0.959702 0.957803| 164.038653 164.866639| | 38| 164.769411 165.632766| -0.761443 -0.799880| 0.959702 0.957803| 164.038653 164.866639| | 39| 164.769460 165.632771| -0.761550 -0.799882| 0.959711 0.957805| 164.038592 164.866640| | 40| 164.769460 165.632771| -0.761550 -0.799882| 0.959711 0.957805| 164.038592 164.866640| | 41| 164.769625 165.632970| -0.762022 -0.800443| 0.960050 0.957927| 164.038045 164.866204| | 42| 164.769625 165.632970| -0.762022 -0.800443| 0.960050 0.957927| 164.038045 164.866204| | 43| 164.769632 165.632975| -0.762026 -0.800442| 0.960050 0.957927| 164.038049 164.866209| | 44| 164.769632 165.632975| -0.762026 -0.800442| 0.960050 0.957927| 164.038049 164.866209| | 45| 164.769894 165.633271| -0.762325 -0.800774| 0.960091 0.957969| 164.037993 164.866154| | 46| 164.769894 165.633271| -0.762325 -0.800774| 0.960091 0.957969| 164.037993 164.866154| | 47| 164.769899 165.633276| -0.762324 -0.800773| 0.960091 0.957969| 164.037998 164.866159| | 48| 164.769899 165.633276| -0.762324 -0.800773| 0.960091 0.957969| 164.037998 164.866159| | 49| 164.771249 165.634625| -0.760975 -0.799556| 0.959841 0.957695| 164.040834 164.868894| | 50| 164.773707 165.636938| -0.761297 -0.799792| 0.959672 0.957672| 164.043112 164.871000| | 51| 220.984142 222.186450| -2.224895 -2.319628| 0.865157 0.858036| 219.059259 220.196125| | 52| 220.984142 222.186450| -2.224895 -2.319628| 0.865157 0.858036| 219.059259 220.196125| | 53| 220.985778 222.188008| -2.232492 -2.327279| 0.866369 0.859646| 219.051616 220.187372| | 54| 220.985778 222.188008| -2.232492 -2.327279| 0.866369 0.859646| 219.051616 220.187372| | 55| 220.985890 222.188110| -2.232477 -2.327263| 0.866367 0.859643| 219.051745 220.187493| | 56| 220.985890 222.188110| -2.232477 -2.327263| 0.866367 0.859643| 219.051745 220.187493| | 57| 220.987116 222.189258| -2.225220 -2.320006| 0.865205 0.858151| 219.061845 220.198343| | 58| 220.987116 222.189258| -2.225220 -2.320006| 0.865205 0.858151| 219.061845 220.198343| | 59| 221.005660 222.208049| -2.230306 -2.323066| 0.847464 0.853237| 219.115555 220.225923| | 60| 221.064279 222.265711| -2.230765 -2.327118| 0.861344 0.856392| 219.142823 220.272786| | 61| 262.205295 263.889723| -2.731316 -2.872389| 0.869607 0.875682| 259.830124 261.374422| | 62| 262.473520 264.149016| -2.754547 -2.895254| 0.877995 0.878907| 260.055043 261.604357| | 63| 263.234819 264.418684| -1.638018 -1.714736| 0.931864 0.926532| 261.708410 262.829927| | 64| 263.855672 265.029188| -1.696120 -1.763789| 0.929545 0.926346| 262.279051 263.395309| | 65| 263.855672 265.029188| -1.696120 -1.763789| 0.929545 0.926346| 262.279051 263.395309| | 66| 264.069334 265.240473| -1.711030 -1.779193| 0.928691 0.925432| 262.480316 263.593950| | 67| 264.069334 265.240473| -1.711030 -1.779193| 0.928691 0.925432| 262.480316 263.593950| | 68| 265.275826 266.442356| -1.796138 -1.875439| 0.912398 0.908197| 263.637033 264.739087| | 69| 607.456358 607.783108| -0.889881 -0.893248| 0.970333 0.970105| 606.592877 606.916564| | 70| 613.438209 613.766303| -1.133611 -1.139071| 0.951266 0.950804| 612.359843 612.683270| -------------------------------------------------------------------------------------------------------------------------------- UG0W0 HOMO energy: 0.000000 eV UG0W0 LUMO energy: 0.174150 eV UG0W0 HOMO-LUMO gap : 0.174150 eV -------------------------------------------------------------------------------------------------------------------------------- RPA@UG0W0 total energy : -1.028080 au RPA@UG0W0 correlation energy: -0.028300 au GM@UG0W0 total energy : -1.053945 au GM@UG0W0 correlation energy: -0.054165 au -------------------------------------------------------------------------------------------------------------------------------- ------------------------------------------------------------- BSE@UGW calculation: spin-flip manifold ------------------------------------------------------------- | State | Excitation energy (au) | Excitation energy (eV) | ------------------------------------------------------------- | 1 | 0.023782 | 0.647128 | | 2 | 0.024057 | 0.654631 | | 3 | 0.363921 | 9.902787 | | 4 | 0.364029 | 9.905725 | | 5 | 0.457378 | 12.445884 | | 6 | 0.457946 | 12.461340 | | 7 | 0.579979 | 15.782036 | | 8 | 0.582561 | 15.852284 | | 9 | 0.598309 | 16.280807 | | 10 | 0.598309 | 16.280807 | | 11 | 0.598637 | 16.289740 | | 12 | 0.598637 | 16.289740 | | 13 | 0.706153 | 19.215396 | | 14 | 0.706807 | 19.233187 | | 15 | 0.878427 | 23.903214 | | 16 | 0.878427 | 23.903214 | | 17 | 0.878816 | 23.913795 | | 18 | 0.878816 | 23.913795 | | 19 | 0.882064 | 24.002193 | | 20 | 0.885432 | 24.093825 | ------------------------------------------------------------- ------------------------------------------------------------- Excitation n. 1: 0.647128 eV f = 0.0000 = 0.0032 ------------------------------------------------------------- 1A -> 2B = -0.626837 1A -> 4B = -0.260727 2A -> 1B = 0.660587 2A -> 3B = -0.306118 ------------------------------------------------------------- Excitation n. 2: 0.654631 eV f = 0.0000 = 1.9969 ------------------------------------------------------------- 1A -> 1B = -0.638282 1A -> 3B = 0.298437 2A -> 2B = 0.650215 2A -> 4B = 0.267517 ------------------------------------------------------------- Excitation n. 3: 9.902787 eV f = 0.0000 = 0.2887 ------------------------------------------------------------- 1A -> 2B = 0.628891 1A -> 4B = 0.134777 2A -> 1B = 0.737971 2A -> 3B = 0.183382 ------------------------------------------------------------- Excitation n. 4: 9.905725 eV f = 0.0000 = 0.2732 ------------------------------------------------------------- 1A -> 1B = 0.753630 1A -> 3B = 0.149986 2A -> 2B = 0.622859 2A -> 4B = 0.111693 ------------------------------------------------------------- Excitation n. 5: 12.445884 eV f = 0.0000 = 0.9552 ------------------------------------------------------------- 1A -> 1B = 0.141123 1A -> 3B = 0.640542 1A -> 5B = -0.117902 2A -> 2B = -0.425602 2A -> 4B = 0.596403 ------------------------------------------------------------- Excitation n. 6: 12.461340 eV f = 0.0000 = 0.9270 ------------------------------------------------------------- 1A -> 2B = -0.452175 1A -> 4B = 0.552530 2A -> 1B = 0.121588 2A -> 3B = 0.665782 2A -> 5B = -0.114860 ------------------------------------------------------------- Excitation n. 7: 15.782036 eV f = 0.0000 = 0.9174 ------------------------------------------------------------- 1A -> 4B = 0.418406 1A -> 10B = -0.472203 2A -> 3B = -0.395825 2A -> 5B = -0.658721 ------------------------------------------------------------- Excitation n. 8: 15.852284 eV f = 0.0000 = 0.9088 ------------------------------------------------------------- 1A -> 3B = 0.428015 1A -> 5B = 0.630260 2A -> 4B = -0.407940 2A -> 10B = 0.490261 ------------------------------------------------------------- Excitation n. 9: 16.280807 eV f = 0.0000 = 1.0000 ------------------------------------------------------------- 1A -> 8B = 0.299960 1A -> 9B = -0.609627 2A -> 6B = -0.642466 2A -> 7B = 0.346685 ------------------------------------------------------------- Excitation n. 10: 16.280807 eV f = 0.0000 = 1.0000 ------------------------------------------------------------- 1A -> 8B = -0.609627 1A -> 9B = -0.299960 2A -> 6B = -0.346685 2A -> 7B = -0.642466 ------------------------------------------------------------- Excitation n. 11: 16.289740 eV f = 0.0000 = 1.0000 ------------------------------------------------------------- 1A -> 6B = -0.699731 2A -> 9B = -0.707780 ------------------------------------------------------------- Excitation n. 12: 16.289740 eV f = 0.0000 = 1.0000 ------------------------------------------------------------- 1A -> 7B = -0.699731 2A -> 8B = -0.707780 ------------------------------------------------------------- Excitation n. 13: 19.215396 eV f = 0.0000 = 0.8821 ------------------------------------------------------------- 1A -> 3B = -0.522230 1A -> 5B = 0.486208 2A -> 4B = 0.615345 2A -> 10B = 0.328841 ------------------------------------------------------------- Excitation n. 14: 19.233187 eV f = 0.0000 = 0.8816 ------------------------------------------------------------- 1A -> 4B = 0.647375 1A -> 10B = 0.298903 2A -> 3B = -0.499733 2A -> 5B = 0.487495 ------------------------------------------------------------- Excitation n. 15: 23.903214 eV f = 0.0000 = 1.0000 ------------------------------------------------------------- 1A -> 7B = -0.707906 2A -> 8B = 0.698549 ------------------------------------------------------------- Excitation n. 16: 23.903214 eV f = 0.0000 = 1.0000 ------------------------------------------------------------- 1A -> 6B = -0.707906 2A -> 9B = 0.698549 ------------------------------------------------------------- Excitation n. 17: 23.913795 eV f = 0.0000 = 1.0000 ------------------------------------------------------------- 1A -> 9B = 0.731556 2A -> 6B = -0.681430 ------------------------------------------------------------- Excitation n. 18: 23.913795 eV f = 0.0000 = 1.0000 ------------------------------------------------------------- 1A -> 8B = 0.731556 2A -> 7B = -0.681430 ------------------------------------------------------------- Excitation n. 19: 24.002193 eV f = 0.0000 = 0.9964 ------------------------------------------------------------- 1A -> 3B = -0.105850 1A -> 5B = -0.583710 2A -> 10B = 0.799509 ------------------------------------------------------------- Excitation n. 20: 24.093825 eV f = 0.0000 = 0.9957 ------------------------------------------------------------- 1A -> 10B = -0.821466 2A -> 3B = 0.109578 2A -> 5B = 0.551906 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 = -0.9997803831 ------------------------------------------------------------------------------- Total CPU time for G0W0 = 0.503 seconds Total CPU time for QuAcK = 18.024 seconds