210 significant shell pairs computed in 0.000103 seconds 0 Computed Electron repulsion integrals Integrals in parallel in 3.623619 seconds ****************************************************************************************** * QuAcK QuAcK QuAcK * * __ __ __ __ __ __ __ __ __ * * <(o )___ <(o )___ <(o )___ <(o )___ <(o )___ <(o )___ <(o )___ <(o )___ <(o )___ * * ( ._> / ( ._> / ( ._> / ( ._> / ( ._> / ( ._> / ( ._> / ( ._> / ( ._> / * *|--------------------------------------------------------------------------------------|* ****************************************************************************************** ---------------------- Number of atoms 2 ---------------------- ---------------------- Number of spin-up electron 1 Number of spin-down electron 1 Total number of electron 2 ---------------------- ---------------------- Number of core electron 0 Number of Rydberg electron 0 ---------------------- ------------------ Molecular geometry ------------------ Atom n. 1 Z = 1.0000000000 Atom coordinates: 0.0000000000 0.0000000000 0.0000000000 Atom n. 2 Z = 1.0000000000 Atom coordinates: 0.0000000000 0.0000000000 3.1180481070 ------------------ Nuclear repulsion energy = 0.3207134610 ------------------ Gaussian basis set ------------------ Atom n. 1 number of shells 10 ------------------ s-type shell with K = 6 Exponents Contraction 82.6400000000 0.0020060000 12.4100000000 0.0153430000 2.8240000000 0.0755790000 0.7977000000 0.2568750000 0.2581000000 0.4973680000 0.0898900000 0.2961330000 s-type shell with K = 1 Exponents Contraction 0.7977000000 1.0000000000 s-type shell with K = 1 Exponents Contraction 0.2581000000 1.0000000000 s-type shell with K = 1 Exponents Contraction 0.0898900000 1.0000000000 p-type shell with K = 1 Exponents Contraction 2.2920000000 1.0000000000 p-type shell with K = 1 Exponents Contraction 0.8380000000 1.0000000000 p-type shell with K = 1 Exponents Contraction 0.2920000000 1.0000000000 d-type shell with K = 1 Exponents Contraction 2.0620000000 1.0000000000 d-type shell with K = 1 Exponents Contraction 0.6620000000 1.0000000000 f-type shell with K = 1 Exponents Contraction 1.3970000000 1.0000000000 ------------------ Atom n. 2 number of shells 10 ------------------ s-type shell with K = 6 Exponents Contraction 82.6400000000 0.0020060000 12.4100000000 0.0153430000 2.8240000000 0.0755790000 0.7977000000 0.2568750000 0.2581000000 0.4973680000 0.0898900000 0.2961330000 s-type shell with K = 1 Exponents Contraction 0.7977000000 1.0000000000 s-type shell with K = 1 Exponents Contraction 0.2581000000 1.0000000000 s-type shell with K = 1 Exponents Contraction 0.0898900000 1.0000000000 p-type shell with K = 1 Exponents Contraction 2.2920000000 1.0000000000 p-type shell with K = 1 Exponents Contraction 0.8380000000 1.0000000000 p-type shell with K = 1 Exponents Contraction 0.2920000000 1.0000000000 d-type shell with K = 1 Exponents Contraction 2.0620000000 1.0000000000 d-type shell with K = 1 Exponents Contraction 0.6620000000 1.0000000000 f-type shell with K = 1 Exponents Contraction 1.3970000000 1.0000000000 ------------------ Number of shells 20 ------------------ ------------------ Number of basis functions 70 ------------------ Scaling integrals by 1.0000000000000000 Total CPU time for reading integrals = 1.205 seconds Lowdin orthogonalization ************************************************ * Unrestricted Hartree-Fock calculation * ************************************************ ---------------------------------------------------------- | # | E(UHF) | Ex(UHF) | Conv | ---------------------------------------------------------- | 1 | -0.9487948801 | -0.5285811262 | 1.000000 | | 2 | -0.9816463451 | -0.4814377331 | 0.022760 | | 3 | -0.9861074984 | -0.4766963867 | 0.020400 | | 4 | -0.9901803707 | -0.4842280751 | 0.023179 | | 5 | -0.9951317463 | -0.4973134217 | 0.024786 | | 6 | -1.0004403713 | -0.5136050399 | 0.024427 | | 7 | -1.0052454055 | -0.5309477711 | 0.021985 | | 8 | -1.0088931462 | -0.5471619084 | 0.018131 | | 9 | -1.0112494523 | -0.5607472988 | 0.013881 | | 10 | -1.0125813069 | -0.5711996697 | 0.010036 | | 11 | -1.0132613647 | -0.5787615956 | 0.006964 | | 12 | -1.0135842133 | -0.5840064504 | 0.004698 | | 13 | -1.0137299877 | -0.5875436080 | 0.003112 | | 14 | -1.0137936337 | -0.5898857031 | 0.002036 | | 15 | -1.0138208134 | -0.5914181333 | 0.001322 | | 16 | -1.0138322539 | -0.5924131096 | 0.000854 | | 17 | -1.0138370245 | -0.5930559289 | 0.000550 | | 18 | -1.0138390019 | -0.5934699071 | 0.000353 | | 19 | -1.0138398183 | -0.5937359639 | 0.000227 | | 20 | -1.0138401545 | -0.5939067289 | 0.000145 | | 21 | -1.0138402928 | -0.5940162394 | 0.000093 | | 22 | -1.0138403496 | -0.5940864297 | 0.000060 | | 23 | -1.0138403729 | -0.5941314023 | 0.000038 | | 24 | -1.0138403825 | -0.5941602109 | 0.000025 | | 25 | -1.0138403864 | -0.5941786625 | 0.000016 | | 26 | -1.0138403880 | -0.5941904795 | 0.000010 | | 27 | -1.0138403887 | -0.5941980470 | 0.000006 | | 28 | -1.0138403889 | -0.5942028930 | 0.000004 | | 29 | -1.0138403890 | -0.5942059962 | 0.000003 | | 30 | -1.0138403891 | -0.5942079833 | 0.000002 | | 31 | -1.0138403891 | -0.5942092557 | 0.000001 | | 32 | -1.0138403891 | -0.5942100705 | 0.000001 | | 33 | -1.0138403891 | -0.5942105922 | 0.000000 | | 34 | -1.0138403891 | -0.5942109263 | 0.000000 | | 35 | -1.0138403891 | -0.5942111402 | 0.000000 | | 36 | -1.0138403891 | -0.5942112772 | 0.000000 | | 37 | -1.0138403891 | -0.5942113649 | 0.000000 | ---------------------------------------------------------- ------------------------------------------------- Summary ------------------------------------------------- One-electron energy: -1.6772059779 au One-electron a energy: -0.8386029890 au One-electron b energy: -0.8386029890 au Kinetic energy: 0.9362839008 au Kinetic a energy: 0.4681419504 au Kinetic b energy: 0.4681419504 au Potential energy: -2.6134898787 au Potential a energy: -1.3067449393 au Potential b energy: -1.3067449393 au ------------------------------------------------- Two-electron energy: 0.3426521278 au Two-electron aa energy: 0.0000000000 au Two-electron ab energy: 0.3426521278 au Two-electron bb energy: 0.0000000000 au Hartree energy: 0.9368634926 au Hartree aa energy: 0.2971056824 au Hartree ab energy: 0.3426521278 au Hartree bb energy: 0.2971056824 au Exchange energy: -0.5942113649 au Exchange a energy: -0.2971056824 au Exchange b energy: -0.2971056824 au ------------------------------------------------- Electronic energy: -1.3345538501 au Nuclear repulsion: 0.3207134610 au UHF energy: -1.0138403891 au ------------------------------------------------- UHF HOMO a energy: -13.495510 eV UHF LUMO a energy: 1.765710 eV UHF HOMOa-LUMOa gap: 15.261220 eV ------------------------------------------------- UHF HOMO b energy: -13.495510 eV UHF LUMO b energy: 1.765710 eV UHF HOMOb-LUMOb gap : 15.261220 eV ------------------------------------------------- S (exact) : 1.000000 S : 1.978684 (exact) : 0.000000 : 0.728797 ------------------------------------------------- Dipole moment (Debye) X Y Z Tot. -0.000000 -0.000000 -0.000000 0.000000 ------------------------------------------------- ----------------------------------------- UHF spin-up orbital coefficients ----------------------------------------- 1 2 3 4 5 1 0.96845693 -0.28595029 -0.09423841 -0.12843975 0.00000000 2 -0.00836573 -0.01436429 -0.24709492 0.09225234 0.00000000 3 -0.00954415 0.09415900 2.48149782 -0.87150363 0.00000000 4 0.00023687 -0.52013637 -2.10455034 1.32947166 0.00000000 5 0.00000000 0.00000000 0.00000000 0.00000000 -0.17885007 6 0.00000000 0.00000000 0.00000000 0.00000000 0.51485928 7 0.00112456 -0.01205562 0.02270412 0.15227729 0.00000000 8 0.00000000 0.00000000 0.00000000 0.00000000 0.64396139 9 0.00000000 0.00000000 0.00000000 0.00000000 -1.85378453 10 -0.00256117 0.05899609 -0.07908190 -0.54820435 0.00000000 11 0.00000000 0.00000000 0.00000000 0.00000000 -0.35909433 12 0.00000000 0.00000000 0.00000000 0.00000000 1.03373202 13 0.00793625 0.01793625 0.05366791 0.29121120 0.00000000 14 0.00078322 -0.00079852 -0.02210578 0.00516140 0.00000000 15 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 16 0.00000000 0.00000000 0.00000000 0.00000000 -0.00051883 17 0.00078322 -0.00079852 -0.02210578 0.00516140 0.00000000 18 0.00000000 0.00000000 0.00000000 0.00000000 0.00149356 19 0.00072960 -0.00147304 -0.02188178 0.00839401 0.00000000 20 0.00044446 -0.01363735 -0.25930626 0.08767215 0.00000000 21 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 22 0.00000000 0.00000000 0.00000000 0.00000000 0.00315008 23 0.00044446 -0.01363735 -0.25930626 0.08767215 0.00000000 24 0.00000000 0.00000000 0.00000000 0.00000000 -0.00906821 25 0.00226012 -0.00464513 -0.26849803 0.06496954 0.00000000 26 0.00000000 0.00000000 0.00000000 0.00000000 -0.26065746 27 0.00000000 0.00000000 0.00000000 0.00000000 0.33557112 28 0.00052701 -0.00930976 0.01157759 0.09852495 0.00000000 29 0.00000000 0.00000000 0.00000000 0.00000000 -0.11656956 30 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 31 0.00000000 0.00000000 0.00000000 0.00000000 -0.11565222 32 0.00000000 0.00000000 0.00000000 0.00000000 0.75035984 33 0.00052701 -0.00930976 0.01157759 0.09852495 0.00000000 34 0.00000000 0.00000000 0.00000000 0.00000000 0.33293036 35 0.00166309 -0.01950152 0.03249578 0.21849271 0.00000000 36 0.18539668 0.73729390 -0.06884274 0.08620034 0.00000000 37 -0.01473062 0.02768972 -0.08641907 -0.35200289 0.00000000 38 -0.04302718 -0.75720545 0.79490691 2.79426047 0.00000000 39 -0.02910476 1.09418503 -0.00953971 -2.32473932 0.00000000 40 0.00000000 0.00000000 0.00000000 0.00000000 -0.13806106 41 0.00000000 0.00000000 0.00000000 0.00000000 0.39743913 42 -0.00218596 -0.02074663 -0.09993008 0.04015351 0.00000000 43 0.00000000 0.00000000 0.00000000 0.00000000 0.50052737 44 0.00000000 0.00000000 0.00000000 0.00000000 -1.44087814 45 0.00049365 0.07963024 0.36730798 -0.14551561 0.00000000 46 0.00000000 0.00000000 0.00000000 0.00000000 -0.25530959 47 0.00000000 0.00000000 0.00000000 0.00000000 0.73496481 48 -0.01327989 -0.03034712 -0.16334190 0.07064531 0.00000000 49 0.00055091 0.00813520 -0.00849349 -0.02195913 0.00000000 50 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 51 0.00000000 0.00000000 0.00000000 0.00000000 0.00048903 52 0.00055091 0.00813520 -0.00849349 -0.02195913 0.00000000 53 0.00000000 0.00000000 0.00000000 0.00000000 -0.00140779 54 0.00077095 0.00836480 -0.00601766 -0.02348563 0.00000000 55 0.00053149 0.07669498 -0.08470093 -0.29777275 0.00000000 56 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 57 0.00000000 0.00000000 0.00000000 0.00000000 -0.00327588 58 0.00053149 0.07669498 -0.08470093 -0.29777275 0.00000000 59 0.00000000 0.00000000 0.00000000 0.00000000 0.00943034 60 0.00351615 0.07522757 -0.10798362 -0.29541427 0.00000000 61 0.00000000 0.00000000 0.00000000 0.00000000 -0.20213843 62 0.00000000 0.00000000 0.00000000 0.00000000 0.26023356 63 -0.00053755 -0.01456127 -0.06378179 0.02914378 0.00000000 64 0.00000000 0.00000000 0.00000000 0.00000000 -0.09039905 65 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 66 0.00000000 0.00000000 0.00000000 0.00000000 -0.08916305 67 0.00000000 0.00000000 0.00000000 0.00000000 0.58189994 68 -0.00053755 -0.01456127 -0.06378179 0.02914378 0.00000000 69 0.00000000 0.00000000 0.00000000 0.00000000 0.25667547 70 -0.00221922 -0.03108954 -0.14474226 0.05688075 0.00000000 6 7 8 9 10 1 0.00000000 -0.08220221 0.00000000 0.00000000 -0.58471085 2 0.00000000 -0.07721164 0.00000000 0.00000000 0.00637790 3 0.00000000 0.77702752 0.00000000 0.00000000 0.19231950 4 0.00000000 -0.32792202 0.00000000 0.00000000 -0.98226748 5 0.51485928 0.00000000 0.49234616 -0.01617665 0.00000000 6 0.17885007 0.00000000 0.01617665 0.49234616 0.00000000 7 0.00000000 -0.50328721 0.00000000 0.00000000 -0.70777721 8 -1.85378453 0.00000000 -1.78647588 0.05869691 0.00000000 9 -0.64396139 0.00000000 -0.05869691 -1.78647588 0.00000000 10 0.00000000 1.82482664 0.00000000 0.00000000 2.59848168 11 1.03373202 0.00000000 1.10890712 -0.03643454 0.00000000 12 0.35909433 0.00000000 0.03643454 1.10890712 0.00000000 13 0.00000000 -1.06535609 0.00000000 0.00000000 -2.15609561 14 0.00000000 -0.00403115 0.00000000 0.00000000 -0.01380198 15 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 16 0.00149356 0.00000000 0.00095687 -0.00003144 0.00000000 17 0.00000000 -0.00403115 0.00000000 0.00000000 -0.01380198 18 0.00051883 0.00000000 0.00003144 0.00095687 0.00000000 19 0.00000000 -0.00546335 0.00000000 0.00000000 -0.00666615 20 0.00000000 -0.08294510 0.00000000 0.00000000 -0.04843489 21 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 22 -0.00906821 0.00000000 -0.00497370 0.00016342 0.00000000 23 0.00000000 -0.08294510 0.00000000 0.00000000 -0.04843489 24 -0.00315008 0.00000000 -0.00016342 -0.00497370 0.00000000 25 0.00000000 -0.04979331 0.00000000 0.00000000 -0.11689357 26 0.75035984 0.00000000 0.71120045 -0.02336739 0.00000000 27 0.11656956 0.00000000 0.01045021 0.31805851 0.00000000 28 0.00000000 -0.32084785 0.00000000 0.00000000 -0.45245045 29 0.33557112 0.00000000 0.31805851 -0.01045021 0.00000000 30 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 31 0.33293036 0.00000000 0.32288148 -0.01060868 0.00000000 32 0.26065746 0.00000000 0.02336739 0.71120045 0.00000000 33 0.00000000 -0.32084785 0.00000000 0.00000000 -0.45245045 34 0.11565222 0.00000000 0.01060868 0.32288148 0.00000000 35 0.00000000 -0.73494661 0.00000000 0.00000000 -1.01180801 36 0.00000000 -0.00477645 0.00000000 0.00000000 0.37824643 37 0.00000000 -0.13201893 0.00000000 0.00000000 -0.11902922 38 0.00000000 1.08426435 0.00000000 0.00000000 0.32635235 39 0.00000000 -0.39905354 0.00000000 0.00000000 0.92507641 40 0.39743913 0.00000000 -0.67091366 0.02204371 0.00000000 41 0.13806106 0.00000000 -0.02204371 -0.67091366 0.00000000 42 0.00000000 0.46702822 0.00000000 0.00000000 -0.80609498 43 -1.44087814 0.00000000 2.44858043 -0.08045119 0.00000000 44 -0.50052737 0.00000000 0.08045119 2.44858043 0.00000000 45 0.00000000 -1.70566793 0.00000000 0.00000000 2.97195337 46 0.73496481 0.00000000 -1.40388854 0.04612652 0.00000000 47 0.25530959 0.00000000 -0.04612652 -1.40388854 0.00000000 48 0.00000000 0.88557339 0.00000000 0.00000000 -2.29725567 49 0.00000000 -0.00497128 0.00000000 0.00000000 0.00931461 50 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 51 -0.00140779 0.00000000 0.00078119 -0.00002567 0.00000000 52 0.00000000 -0.00497128 0.00000000 0.00000000 0.00931461 53 -0.00048903 0.00000000 0.00002567 0.00078119 0.00000000 54 0.00000000 -0.00747634 0.00000000 0.00000000 0.00230745 55 0.00000000 -0.11467860 0.00000000 0.00000000 -0.02369886 56 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 57 0.00943034 0.00000000 -0.00291844 0.00009589 0.00000000 58 0.00000000 -0.11467860 0.00000000 0.00000000 -0.02369886 59 0.00327588 0.00000000 -0.00009589 -0.00291844 0.00000000 60 0.00000000 -0.07548666 0.00000000 0.00000000 0.03998901 61 0.58189994 0.00000000 -0.97363156 0.03198989 0.00000000 62 0.09039905 0.00000000 -0.01430631 -0.43542127 0.00000000 63 0.00000000 0.29869463 0.00000000 0.00000000 -0.51568416 64 0.26023356 0.00000000 -0.43542127 0.01430631 0.00000000 65 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 66 0.25667547 0.00000000 -0.43937517 0.01443622 0.00000000 67 0.20213843 0.00000000 -0.03198989 -0.97363156 0.00000000 68 0.00000000 0.29869463 0.00000000 0.00000000 -0.51568416 69 0.08916305 0.00000000 -0.01443622 -0.43937517 0.00000000 70 0.00000000 0.68468199 0.00000000 0.00000000 -1.15601653 11 12 13 14 15 1 2.69267120 -0.68647589 0.15540312 0.00000000 0.00000000 2 1.41902602 -0.57209044 0.02964106 0.00000000 0.00000000 3 -6.89470245 2.63670884 -0.15492929 0.00000000 0.00000000 4 0.62873883 -0.41376809 0.01106634 0.00000000 0.00000000 5 0.00000000 0.00000000 0.00000000 -0.95735298 1.34780377 6 0.00000000 0.00000000 0.00000000 -1.34780377 -0.95735298 7 -0.20073485 0.07559760 1.41810231 0.00000000 0.00000000 8 0.00000000 0.00000000 0.00000000 3.62299763 -5.10061594 9 0.00000000 0.00000000 0.00000000 5.10061594 3.62299763 10 0.76526886 -0.29549447 -5.44443822 0.00000000 0.00000000 11 0.00000000 0.00000000 0.00000000 -0.69556501 0.97924712 12 0.00000000 0.00000000 0.00000000 -0.97924712 -0.69556501 13 -0.57202862 0.73098247 1.17777611 0.00000000 0.00000000 14 0.05498782 -0.00772003 -0.01292676 0.00000000 0.00000000 15 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 16 0.00000000 0.00000000 0.00000000 -0.02901811 0.04085297 17 0.05498782 -0.00772003 -0.01292676 0.00000000 0.00000000 18 0.00000000 0.00000000 0.00000000 -0.04085297 -0.02901811 19 0.05550928 -0.02289879 0.00885692 0.00000000 0.00000000 20 0.96755590 -0.35345794 0.06742081 0.00000000 0.00000000 21 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 22 0.00000000 0.00000000 0.00000000 0.21263952 -0.29936331 23 0.96755590 -0.35345794 0.06742081 0.00000000 0.00000000 24 0.00000000 0.00000000 0.00000000 0.29936331 0.21263952 25 1.00263892 -0.20242454 -0.24113229 0.00000000 0.00000000 26 0.00000000 0.00000000 0.00000000 -1.41823124 1.99664853 27 0.00000000 0.00000000 0.00000000 -0.89292837 -0.63425229 28 -0.12152918 0.04252282 0.91895635 0.00000000 0.00000000 29 0.00000000 0.00000000 0.00000000 -0.63425229 0.89292837 30 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 31 0.00000000 0.00000000 0.00000000 -0.62445984 0.87914212 32 0.00000000 0.00000000 0.00000000 -1.99664853 -1.41823124 33 -0.12152918 0.04252282 0.91895635 0.00000000 0.00000000 34 0.00000000 0.00000000 0.00000000 -0.87914212 -0.62445984 35 -0.28568661 0.11512199 2.10392302 0.00000000 0.00000000 36 0.85463265 2.76646328 0.19379192 0.00000000 0.00000000 37 0.21194795 1.49369655 0.06678171 0.00000000 0.00000000 38 -1.16806641 -7.22179122 -0.28430753 0.00000000 0.00000000 39 -0.01965844 0.69864915 -0.05164603 0.00000000 0.00000000 40 0.00000000 0.00000000 0.00000000 -0.64307693 0.90535208 41 0.00000000 0.00000000 0.00000000 -0.90535208 -0.64307693 42 -0.05512236 0.20198926 -1.29016216 0.00000000 0.00000000 43 0.00000000 0.00000000 0.00000000 2.41480704 -3.39967191 44 0.00000000 0.00000000 0.00000000 3.39967191 2.41480704 45 0.20742113 -0.77940274 4.92959265 0.00000000 0.00000000 46 0.00000000 0.00000000 0.00000000 -0.42479874 0.59805041 47 0.00000000 0.00000000 0.00000000 -0.59805041 -0.42479874 48 -0.56945885 0.77668532 -0.97210482 0.00000000 0.00000000 49 0.02251516 0.05429740 -0.01336321 0.00000000 0.00000000 50 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 51 0.00000000 0.00000000 0.00000000 0.02776577 -0.03908987 52 0.02251516 0.05429740 -0.01336321 0.00000000 0.00000000 53 0.00000000 0.00000000 0.00000000 0.03908987 0.02776577 54 0.00913393 0.06185606 0.00995662 0.00000000 0.00000000 55 0.19209773 1.04241925 0.08788076 0.00000000 0.00000000 56 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 57 0.00000000 0.00000000 0.00000000 -0.20204069 0.28444180 58 0.19209773 1.04241925 0.08788076 0.00000000 0.00000000 59 0.00000000 0.00000000 0.00000000 -0.28444180 -0.20204069 60 0.33991017 1.00228904 -0.22834533 0.00000000 0.00000000 61 0.00000000 0.00000000 0.00000000 -0.95570174 1.34547908 62 0.00000000 0.00000000 0.00000000 -0.60171654 -0.42740281 63 -0.03410073 0.12053557 -0.83555421 0.00000000 0.00000000 64 0.00000000 0.00000000 0.00000000 -0.42740281 0.60171654 65 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 66 0.00000000 0.00000000 0.00000000 -0.41469470 0.58382550 67 0.00000000 0.00000000 0.00000000 -1.34547908 -0.95570174 68 -0.03410073 0.12053557 -0.83555421 0.00000000 0.00000000 69 0.00000000 0.00000000 0.00000000 -0.58382550 -0.41469470 70 -0.08617209 0.29222331 -1.91613209 0.00000000 0.00000000 16 17 18 19 20 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 0.08513118 1.41921140 -0.65353103 0.10535842 0.00000000 6 1.41921140 -0.08513118 0.10535842 0.65353103 0.00000000 7 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 8 -0.32477309 -5.41425230 2.50174439 -0.40331648 0.00000000 9 -5.41425230 0.32477309 -0.40331648 -2.50174439 0.00000000 10 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 11 0.06228052 1.03827097 -0.65509491 0.10561054 0.00000000 12 1.03827097 -0.06228052 0.10561054 0.65509491 0.00000000 13 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 14 0.00000000 0.00000000 0.00000000 0.00000000 -0.10012854 15 0.00000000 0.00000000 0.00000000 0.00000000 -0.00002262 16 -0.00423954 -0.07067684 -0.04292651 0.00692036 0.00000000 17 0.00000000 0.00000000 0.00000000 0.00000000 0.10012854 18 -0.07067684 0.00423954 0.00692036 0.04292651 0.00000000 19 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 20 0.00000000 0.00000000 0.00000000 0.00000000 0.71600482 21 0.00000000 0.00000000 0.00000000 0.00000000 0.00016173 22 0.03181162 0.53032768 0.29942771 -0.04827197 0.00000000 23 0.00000000 0.00000000 0.00000000 0.00000000 -0.71600482 24 0.53032768 -0.03181162 -0.04827197 -0.29942771 0.00000000 25 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 26 0.12540344 2.09058529 -0.95222207 0.15351163 0.00000000 27 0.93493816 -0.05608212 0.06865249 0.42584666 0.00000000 28 0.00000000 0.00000000 0.00000000 0.00000000 0.00616805 29 0.05608212 0.93493816 -0.42584666 0.06865249 0.00000000 30 0.00000000 0.00000000 0.00000000 0.00000000 0.00000139 31 0.05683285 0.94745352 -0.43845110 0.07068450 0.00000000 32 2.09058529 -0.12540344 0.15351163 0.95222207 0.00000000 33 0.00000000 0.00000000 0.00000000 0.00000000 -0.00616805 34 0.94745352 -0.05683285 0.07068450 0.43845110 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 -0.02679844 -0.44675352 1.94739586 -0.31394768 0.00000000 41 -0.44675352 0.02679844 -0.31394768 -1.94739586 0.00000000 42 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 43 0.10156064 1.69310503 -7.38251581 1.19016567 0.00000000 44 1.69310503 -0.10156064 1.19016567 7.38251581 0.00000000 45 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 46 -0.02987524 -0.49804643 1.41958299 -0.22885680 0.00000000 47 -0.49804643 0.02987524 -0.22885680 -1.41958299 0.00000000 48 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 49 0.00000000 0.00000000 0.00000000 0.00000000 -0.08268202 50 0.00000000 0.00000000 0.00000000 0.00000000 -0.00001868 51 0.00430354 0.07174380 0.03608417 -0.00581728 0.00000000 52 0.00000000 0.00000000 0.00000000 0.00000000 0.08268202 53 0.07174380 -0.00430354 -0.00581728 -0.03608417 0.00000000 54 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 55 0.00000000 0.00000000 0.00000000 0.00000000 0.57212304 56 0.00000000 0.00000000 0.00000000 0.00000000 0.00012923 57 -0.03008937 -0.50161618 -0.27211611 0.04386895 0.00000000 58 0.00000000 0.00000000 0.00000000 0.00000000 -0.57212304 59 -0.50161618 0.03008937 0.04386895 0.27211611 0.00000000 60 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 61 -0.03905094 -0.65101346 2.86697700 -0.46219713 0.00000000 62 -0.29114207 0.01746411 -0.20670084 -1.28215109 0.00000000 63 0.00000000 0.00000000 0.00000000 0.00000000 -0.00790969 64 -0.01746411 -0.29114207 1.28215109 -0.20670084 0.00000000 65 0.00000000 0.00000000 0.00000000 0.00000000 -0.00000179 66 -0.01759308 -0.29329211 1.29276269 -0.20841158 0.00000000 67 -0.65101346 0.03905094 -0.46219713 -2.86697700 0.00000000 68 0.00000000 0.00000000 0.00000000 0.00000000 0.00790969 69 -0.29329211 0.01759308 -0.20841158 -1.29276269 0.00000000 70 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 21 22 23 24 25 1 0.00000000 0.00000000 0.00000000 -0.25915707 0.20359642 2 0.00000000 0.00000000 0.00000000 0.18579069 0.07839607 3 0.00000000 0.00000000 0.00000000 0.01443597 0.17564312 4 0.00000000 0.00000000 0.00000000 -0.67812783 -0.14824875 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 -1.71868887 -0.98720430 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 6.62363117 3.71795003 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 -2.13380631 -0.71788072 14 0.00001959 -0.07790133 -0.00012806 -0.02967004 -0.03754998 15 -0.11561847 0.00014787 -0.08995271 0.00000000 0.00000000 16 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 17 -0.00001959 0.07790133 0.00012806 -0.02967004 -0.03754998 18 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 19 0.00000000 0.00000000 0.00000000 -0.00159498 0.07337536 20 -0.00014007 0.60045155 0.00098706 0.01561461 0.28732086 21 0.82677115 -0.00113976 0.69334173 0.00000000 0.00000000 22 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 23 0.00014007 -0.60045155 -0.00098706 0.01561461 0.28732086 24 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 25 0.00000000 0.00000000 0.00000000 -0.36057125 -0.72003763 26 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 27 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 28 -0.00000121 -0.00998191 -0.00001641 -1.11587948 -0.66517326 29 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 30 0.00712225 0.00001895 -0.01152612 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 0.00000121 0.00998191 0.00001641 -1.11587948 -0.66517326 34 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 35 0.00000000 0.00000000 0.00000000 -2.49769395 -1.44635128 36 0.00000000 0.00000000 0.00000000 0.28179398 0.18190342 37 0.00000000 0.00000000 0.00000000 -0.17551774 0.09342857 38 0.00000000 0.00000000 0.00000000 0.05571977 0.18774860 39 0.00000000 0.00000000 0.00000000 0.64545590 -0.22222997 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 -1.70936961 1.22146749 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 6.56194825 -4.61017736 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 -2.09441676 0.93964545 49 0.00001617 0.09959538 0.00016372 0.02278513 -0.03961636 50 -0.09547298 -0.00018905 0.11500283 0.00000000 0.00000000 51 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 52 -0.00001617 -0.09959538 -0.00016372 0.02278513 -0.03961636 53 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 54 0.00000000 0.00000000 0.00000000 0.00976544 0.07232846 55 -0.00011192 -0.74040116 -0.00121712 0.01048437 0.28195229 56 0.66063078 0.00140541 -0.85494162 0.00000000 0.00000000 57 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 58 0.00011192 0.74040116 0.00121712 0.01048437 0.28195229 59 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 60 0.00000000 0.00000000 0.00000000 0.23133280 -0.72282361 61 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 62 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 63 0.00000155 -0.00799617 -0.00001314 -1.10592367 0.81609992 64 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 65 -0.00913333 0.00001518 -0.00923318 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 -0.00000155 0.00799617 0.00001314 -1.10592367 0.81609992 69 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 70 0.00000000 0.00000000 0.00000000 -2.48299588 1.78752904 26 27 28 29 30 1 0.00000000 0.00000000 -1.50109062 -0.37877526 -0.49948661 2 0.00000000 0.00000000 -0.09157401 -0.43213804 0.54928336 3 0.00000000 0.00000000 5.99333302 2.97181892 0.62237195 4 0.00000000 0.00000000 -0.45235680 -0.29468637 -0.32836547 5 0.15352930 -0.19584669 0.00000000 0.00000000 0.00000000 6 0.19584669 0.15352930 0.00000000 0.00000000 0.00000000 7 0.00000000 0.00000000 0.02738500 0.09490307 -0.20387999 8 -0.57455702 0.73292257 0.00000000 0.00000000 0.00000000 9 -0.73292257 -0.57455702 0.00000000 0.00000000 0.00000000 10 0.00000000 0.00000000 -0.14237545 -0.38850181 0.55150136 11 0.27345622 -0.34882916 0.00000000 0.00000000 0.00000000 12 0.34882916 0.27345622 0.00000000 0.00000000 0.00000000 13 0.00000000 0.00000000 0.46020196 1.08045424 -1.16615842 14 0.00000000 0.00000000 -0.08285212 0.00272667 -0.09257069 15 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 16 -0.06173634 0.07875277 0.00000000 0.00000000 0.00000000 17 0.00000000 0.00000000 -0.08285212 0.00272667 -0.09257069 18 -0.07875277 -0.06173634 0.00000000 0.00000000 0.00000000 19 0.00000000 0.00000000 -0.15764377 -0.08214048 0.05832440 20 0.00000000 0.00000000 -1.97074175 -0.86730874 -0.08921372 21 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 22 0.53988200 -0.68869006 0.00000000 0.00000000 0.00000000 23 0.00000000 0.00000000 -1.97074175 -0.86730874 -0.08921372 24 0.68869006 0.53988200 0.00000000 0.00000000 0.00000000 25 0.00000000 0.00000000 -1.29994214 0.07988365 -1.61274216 26 0.23342570 -0.29776499 0.00000000 0.00000000 0.00000000 27 0.13316455 0.10439115 0.00000000 0.00000000 0.00000000 28 0.00000000 0.00000000 0.01923382 0.05699105 -0.17243046 29 0.10439115 -0.13316455 0.00000000 0.00000000 0.00000000 30 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 31 0.07231318 -0.09224492 0.00000000 0.00000000 0.00000000 32 0.29776499 0.23342570 0.00000000 0.00000000 0.00000000 33 0.00000000 0.00000000 0.01923382 0.05699105 -0.17243046 34 0.09224492 0.07231318 0.00000000 0.00000000 0.00000000 35 0.00000000 0.00000000 0.00029002 0.12740826 -0.20446348 36 0.00000000 0.00000000 -0.62998308 1.38105238 0.58978705 37 0.00000000 0.00000000 0.26456219 0.31213375 -0.58057570 38 0.00000000 0.00000000 1.44122575 -6.39600931 -0.90577443 39 0.00000000 0.00000000 -0.03298918 0.50698637 0.34338972 40 -0.15774555 0.20122507 0.00000000 0.00000000 0.00000000 41 -0.20122507 -0.15774555 0.00000000 0.00000000 0.00000000 42 0.00000000 0.00000000 0.06679559 0.07781427 -0.17966082 43 0.59181782 -0.75494098 0.00000000 0.00000000 0.00000000 44 0.75494098 0.59181782 0.00000000 0.00000000 0.00000000 45 0.00000000 0.00000000 -0.26295258 -0.34039568 0.48481567 46 -0.27466067 0.35036559 0.00000000 0.00000000 0.00000000 47 -0.35036559 -0.27466067 0.00000000 0.00000000 0.00000000 48 0.00000000 0.00000000 0.48623604 1.07199416 -1.16327527 49 0.00000000 0.00000000 -0.04799148 0.05533093 0.09833628 50 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 51 -0.06625739 0.08451997 0.00000000 0.00000000 0.00000000 52 0.00000000 0.00000000 -0.04799148 0.05533093 0.09833628 53 -0.08451997 -0.06625739 0.00000000 0.00000000 0.00000000 54 0.00000000 0.00000000 -0.03966597 0.17524875 -0.05472516 55 0.00000000 0.00000000 -0.57434282 2.05184088 0.18247671 56 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 57 0.56129500 -0.71600513 0.00000000 0.00000000 0.00000000 58 0.00000000 0.00000000 -0.57434282 2.05184088 0.18247671 59 0.71600513 0.56129500 0.00000000 0.00000000 0.00000000 60 0.00000000 0.00000000 -0.77544722 0.87282976 1.71124196 61 -0.23888495 0.30472898 0.00000000 0.00000000 0.00000000 62 -0.13627894 -0.10683260 0.00000000 0.00000000 0.00000000 63 0.00000000 0.00000000 0.03673008 0.05006837 -0.15600557 64 -0.10683260 0.13627894 0.00000000 0.00000000 0.00000000 65 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 66 -0.07664930 0.09777620 0.00000000 0.00000000 0.00000000 67 -0.30472898 -0.23888495 0.00000000 0.00000000 0.00000000 68 0.00000000 0.00000000 0.03673008 0.05006837 -0.15600557 69 -0.09777620 -0.07664930 0.00000000 0.00000000 0.00000000 70 0.00000000 0.00000000 0.11945488 0.07364039 -0.17657171 31 32 33 34 35 1 0.00000000 0.00000000 0.00000000 0.00000000 0.19985289 2 0.00000000 0.00000000 0.00000000 0.00000000 -0.01646888 3 0.00000000 0.00000000 0.00000000 0.00000000 -0.35113415 4 0.00000000 0.00000000 0.00000000 0.00000000 0.06460419 5 -2.32433592 2.24505542 2.57086784 -0.35572997 0.00000000 6 -2.24505542 -2.32433592 -0.35572997 -2.57086784 0.00000000 7 0.00000000 0.00000000 0.00000000 0.00000000 3.40535638 8 7.21648746 -6.97034114 -8.06684472 1.11620614 0.00000000 9 6.97034114 7.21648746 1.11620614 8.06684472 0.00000000 10 0.00000000 0.00000000 0.00000000 0.00000000 -10.64907176 11 -0.70528062 0.68122429 0.93765554 -0.12974303 0.00000000 12 -0.68122429 -0.70528062 -0.12974303 -0.93765554 0.00000000 13 0.00000000 0.00000000 0.00000000 0.00000000 1.15560128 14 0.00000000 0.00000000 0.00000000 0.00000000 0.00962485 15 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 16 0.00421181 -0.00406815 0.01023277 -0.00141590 0.00000000 17 0.00000000 0.00000000 0.00000000 0.00000000 0.00962485 18 0.00406815 0.00421181 -0.00141590 -0.01023277 0.00000000 19 0.00000000 0.00000000 0.00000000 0.00000000 -0.03848287 20 0.00000000 0.00000000 0.00000000 0.00000000 -0.00297094 21 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 22 -0.02435029 0.02351973 -0.00102971 0.00014248 0.00000000 23 0.00000000 0.00000000 0.00000000 0.00000000 -0.00297094 24 -0.02351973 -0.02435029 0.00014248 0.00102971 0.00000000 25 0.00000000 0.00000000 0.00000000 0.00000000 0.09855470 26 -3.49848095 3.37915167 3.80022712 -0.52583594 0.00000000 27 -1.51120257 -1.56456824 -0.23516098 -1.69951323 0.00000000 28 0.00000000 0.00000000 0.00000000 0.00000000 2.22270435 29 -1.56456824 1.51120257 1.69951323 -0.23516098 0.00000000 30 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 31 -1.51924796 1.46742811 1.77237839 -0.24524330 0.00000000 32 -3.37915167 -3.49848095 -0.52583594 -3.80022712 0.00000000 33 0.00000000 0.00000000 0.00000000 0.00000000 2.22270435 34 -1.46742811 -1.51924796 -0.24524330 -1.77237839 0.00000000 35 0.00000000 0.00000000 0.00000000 0.00000000 5.14992567 36 0.00000000 0.00000000 0.00000000 0.00000000 0.16851731 37 0.00000000 0.00000000 0.00000000 0.00000000 -0.03292119 38 0.00000000 0.00000000 0.00000000 0.00000000 -0.34708158 39 0.00000000 0.00000000 0.00000000 0.00000000 -0.03907285 40 -1.64019453 1.58424932 -3.40035757 0.47050614 0.00000000 41 -1.58424932 -1.64019453 0.47050614 3.40035757 0.00000000 42 0.00000000 0.00000000 0.00000000 0.00000000 -2.41843229 43 5.07346516 -4.90041493 10.64177880 -1.47249876 0.00000000 44 4.90041493 5.07346516 -1.47249876 -10.64177880 0.00000000 45 0.00000000 0.00000000 0.00000000 0.00000000 7.49613322 46 -0.45920874 0.44354565 -1.17767743 0.16295476 0.00000000 47 -0.44354565 -0.45920874 0.16295476 1.17767743 0.00000000 48 0.00000000 0.00000000 0.00000000 0.00000000 -0.77886293 49 0.00000000 0.00000000 0.00000000 0.00000000 0.01474143 50 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 51 -0.00619651 0.00598515 0.00800730 -0.00110797 0.00000000 52 0.00000000 0.00000000 0.00000000 0.00000000 0.01474143 53 -0.00598515 -0.00619651 -0.00110797 -0.00800730 0.00000000 54 0.00000000 0.00000000 0.00000000 0.00000000 -0.06152138 55 0.00000000 0.00000000 0.00000000 0.00000000 -0.01490355 56 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 57 0.02431077 -0.02348155 0.00953621 -0.00131952 0.00000000 58 0.00000000 0.00000000 0.00000000 0.00000000 -0.01490355 59 0.02348155 0.02431077 -0.00131952 -0.00953621 0.00000000 60 0.00000000 0.00000000 0.00000000 0.00000000 0.24115903 61 -2.48928056 2.40437398 -5.06592495 0.70097005 0.00000000 62 -1.07526873 -1.11324011 0.31348334 2.26555051 0.00000000 63 0.00000000 0.00000000 0.00000000 0.00000000 -1.59331885 64 -1.11324011 1.07526873 -2.26555051 0.31348334 0.00000000 65 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 66 -1.05624002 1.02021285 -2.31186275 0.31989154 0.00000000 67 -2.40437398 -2.48928056 0.70097005 5.06592495 0.00000000 68 0.00000000 0.00000000 0.00000000 0.00000000 -1.59331885 69 -1.02021285 -1.05624002 0.31989154 2.31186275 0.00000000 70 0.00000000 0.00000000 0.00000000 0.00000000 -3.68124415 36 37 38 39 40 1 0.07973457 0.00000000 0.00000000 -0.39681557 0.00000000 2 0.05437839 0.00000000 0.00000000 0.05207627 0.00000000 3 0.03567584 0.00000000 0.00000000 0.76682035 0.00000000 4 0.38518807 0.00000000 0.00000000 0.00989912 0.00000000 5 0.00000000 -0.31113344 0.24860265 0.00000000 0.00000000 6 0.00000000 0.24860265 0.31113344 0.00000000 0.00000000 7 3.30042274 0.00000000 0.00000000 0.33321921 0.00000000 8 0.00000000 0.97205372 -0.77669287 0.00000000 0.00000000 9 0.00000000 -0.77669287 -0.97205372 0.00000000 0.00000000 10 -10.57017459 0.00000000 0.00000000 -1.38576692 0.00000000 11 0.00000000 -0.10305033 0.08233954 0.00000000 0.00000000 12 0.00000000 0.08233954 0.10305033 0.00000000 0.00000000 13 1.28018065 0.00000000 0.00000000 0.23812759 0.00000000 14 -0.02023194 0.00000000 0.00000000 -0.07034646 -0.01787353 15 0.00000000 0.00000000 0.00000000 0.00000000 0.00001683 16 0.00000000 0.02012147 -0.01607751 0.00000000 0.00000000 17 -0.02023194 0.00000000 0.00000000 -0.07034646 0.01787353 18 0.00000000 -0.01607751 -0.02012147 0.00000000 0.00000000 19 0.09598162 0.00000000 0.00000000 0.02330793 0.00000000 20 0.04471528 0.00000000 0.00000000 -0.18731826 -0.01184740 21 0.00000000 0.00000000 0.00000000 0.00000000 0.00001115 22 0.00000000 0.03904415 -0.03119715 0.00000000 0.00000000 23 0.04471528 0.00000000 0.00000000 -0.18731826 0.01184740 24 0.00000000 -0.03119715 -0.03904415 0.00000000 0.00000000 25 -0.50911716 0.00000000 0.00000000 -0.21491360 0.00000000 26 0.00000000 -0.11206096 0.08953924 0.00000000 0.00000000 27 0.00000000 0.04004316 0.05011519 0.00000000 0.00000000 28 2.10989071 0.00000000 0.00000000 -0.19660087 0.64360759 29 0.00000000 -0.05011519 0.04004316 0.00000000 0.00000000 30 0.00000000 0.00000000 0.00000000 0.00000000 -0.00060590 31 0.00000000 -0.79667175 0.63655872 0.00000000 0.00000000 32 0.00000000 0.08953924 0.11206096 0.00000000 0.00000000 33 2.10989071 0.00000000 0.00000000 -0.19660087 -0.64360759 34 0.00000000 0.63655872 0.79667175 0.00000000 0.00000000 35 4.94412793 0.00000000 0.00000000 1.30141176 0.00000000 36 -0.12440212 0.00000000 0.00000000 -0.38777186 0.00000000 37 -0.05063099 0.00000000 0.00000000 0.05192343 0.00000000 38 0.05253140 0.00000000 0.00000000 0.76691632 0.00000000 39 -0.38919572 0.00000000 0.00000000 0.01023949 0.00000000 40 0.00000000 -0.33102233 0.26449432 0.00000000 0.00000000 41 0.00000000 0.26449432 0.33102233 0.00000000 0.00000000 42 4.05420466 0.00000000 0.00000000 -0.38281693 0.00000000 43 0.00000000 1.03419584 -0.82634583 0.00000000 0.00000000 44 0.00000000 -0.82634583 -1.03419584 0.00000000 0.00000000 45 -12.92079408 0.00000000 0.00000000 1.54541748 0.00000000 46 0.00000000 -0.10719410 0.08565050 0.00000000 0.00000000 47 0.00000000 0.08565050 0.10719410 0.00000000 0.00000000 48 1.52583053 0.00000000 0.00000000 -0.25057729 0.00000000 49 0.01647935 0.00000000 0.00000000 -0.06909952 -0.01969866 50 0.00000000 0.00000000 0.00000000 0.00000000 0.00001854 51 0.00000000 -0.02127727 0.01700102 0.00000000 0.00000000 52 0.01647935 0.00000000 0.00000000 -0.06909952 0.01969866 53 0.00000000 0.01700102 0.02127727 0.00000000 0.00000000 54 -0.08249701 0.00000000 0.00000000 0.02189534 0.00000000 55 -0.04213770 0.00000000 0.00000000 -0.18805745 -0.01454163 56 0.00000000 0.00000000 0.00000000 0.00000000 0.00001369 57 0.00000000 -0.04391535 0.03508935 0.00000000 0.00000000 58 -0.04213770 0.00000000 0.00000000 -0.18805745 0.01454163 59 0.00000000 0.03508935 0.04391535 0.00000000 0.00000000 60 0.46620333 0.00000000 0.00000000 -0.23391692 0.00000000 61 0.00000000 -0.15241008 0.12177910 0.00000000 0.00000000 62 0.00000000 0.05446127 0.06815986 0.00000000 0.00000000 63 2.61098912 0.00000000 0.00000000 0.15893819 -0.56970138 64 0.00000000 -0.06815986 0.05446127 0.00000000 0.00000000 65 0.00000000 0.00000000 0.00000000 0.00000000 0.00053632 66 0.00000000 -0.79170502 0.63259019 0.00000000 0.00000000 67 0.00000000 0.12177910 0.15241008 0.00000000 0.00000000 68 2.61098912 0.00000000 0.00000000 0.15893819 0.56970138 69 0.00000000 0.63259019 0.79170502 0.00000000 0.00000000 70 6.09171373 0.00000000 0.00000000 -1.36368427 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 0.00001457 0.00000000 0.00000000 0.00000000 0.00000000 15 0.02063857 0.00000000 0.00000000 0.00000000 0.00000000 16 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 17 -0.00001457 0.00000000 0.00000000 0.00000000 0.00000000 18 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 19 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 20 0.00000966 0.00000000 0.00000000 0.00000000 0.00000000 21 0.01368020 0.00000000 0.00000000 0.00000000 0.00000000 22 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 23 -0.00000966 0.00000000 0.00000000 0.00000000 0.00000000 24 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 25 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 26 0.00000000 -0.74774097 0.04346634 -0.03740527 -0.25019144 27 0.00000000 -0.05831622 -1.00319978 0.33566704 -0.05018444 28 -0.00052472 0.00000000 0.00000000 0.00000000 0.00000000 29 0.00000000 1.00319978 -0.05831622 0.05018444 0.33566704 30 -0.74317403 0.00000000 0.00000000 0.00000000 0.00000000 31 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 32 0.00000000 0.04346634 0.74774097 -0.25019144 0.03740527 33 0.00052472 0.00000000 0.00000000 0.00000000 0.00000000 34 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 35 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 36 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 37 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 38 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 39 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 40 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 41 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 42 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 43 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 44 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 45 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 46 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 47 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 48 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 49 0.00001606 0.00000000 0.00000000 0.00000000 0.00000000 50 0.02274605 0.00000000 0.00000000 0.00000000 0.00000000 51 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 52 -0.00001606 0.00000000 0.00000000 0.00000000 0.00000000 53 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 54 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 55 0.00001186 0.00000000 0.00000000 0.00000000 0.00000000 56 0.01679123 0.00000000 0.00000000 0.00000000 0.00000000 57 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 58 -0.00001186 0.00000000 0.00000000 0.00000000 0.00000000 59 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 60 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 61 0.00000000 -0.25170530 0.01463168 0.11079198 0.74105080 62 0.00000000 -0.01963046 -0.33769810 -0.99422397 0.14864304 63 0.00046447 0.00000000 0.00000000 0.00000000 0.00000000 64 0.00000000 0.33769810 -0.01963046 -0.14864304 -0.99422397 65 0.65783449 0.00000000 0.00000000 0.00000000 0.00000000 66 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 67 0.00000000 0.01463168 0.25170530 0.74105080 -0.11079198 68 -0.00046447 0.00000000 0.00000000 0.00000000 0.00000000 69 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 70 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 46 47 48 49 50 1 0.00000000 0.00000000 0.00000000 0.00000000 1.99822186 2 0.00000000 0.00000000 0.00000000 0.00000000 -0.57905017 3 0.00000000 0.00000000 0.00000000 0.00000000 -1.02053552 4 0.00000000 0.00000000 0.00000000 0.00000000 -0.40891326 5 0.00000000 0.00000000 0.26798984 0.16132339 0.00000000 6 0.00000000 0.00000000 -0.16132339 0.26798984 0.00000000 7 0.00000000 0.00000000 0.00000000 0.00000000 1.55743189 8 0.00000000 0.00000000 -0.76581430 -0.46100166 0.00000000 9 0.00000000 0.00000000 0.46100166 -0.76581430 0.00000000 10 0.00000000 0.00000000 0.00000000 0.00000000 -4.98107574 11 0.00000000 0.00000000 0.03251068 0.01957064 0.00000000 12 0.00000000 0.00000000 -0.01957064 0.03251068 0.00000000 13 0.00000000 0.00000000 0.00000000 0.00000000 0.52211643 14 -0.02457449 -0.00006069 0.00000000 0.00000000 0.16501690 15 0.00007007 -0.02837617 0.00000000 0.00000000 0.00000000 16 0.00000000 0.00000000 -0.11991914 -0.07218842 0.00000000 17 0.02457449 0.00006069 0.00000000 0.00000000 0.16501690 18 0.00000000 0.00000000 0.07218842 -0.11991914 0.00000000 19 0.00000000 0.00000000 0.00000000 0.00000000 -0.35605034 20 -0.01435238 -0.00003544 0.00000000 0.00000000 0.01824681 21 0.00004093 -0.01657270 0.00000000 0.00000000 0.00000000 22 0.00000000 0.00000000 -0.06244135 -0.03758818 0.00000000 23 0.01435238 0.00003544 0.00000000 0.00000000 0.01824681 24 0.00000000 0.00000000 0.03758818 -0.06244135 0.00000000 25 0.00000000 0.00000000 0.00000000 0.00000000 -0.28164868 26 0.00000000 0.00000000 0.72308558 0.43528001 0.00000000 27 0.00000000 0.00000000 -0.19466314 0.32337370 0.00000000 28 -0.57869616 -0.00142907 0.00000000 0.00000000 1.42739029 29 0.00000000 0.00000000 0.32337370 0.19466314 0.00000000 30 0.00165015 -0.66822076 0.00000000 0.00000000 0.00000000 31 0.00000000 0.00000000 -0.50348119 -0.30308349 0.00000000 32 0.00000000 0.00000000 -0.43528001 0.72308558 0.00000000 33 0.57869616 0.00142907 0.00000000 0.00000000 1.42739029 34 0.00000000 0.00000000 0.30308349 -0.50348119 0.00000000 35 0.00000000 0.00000000 0.00000000 0.00000000 1.53617714 36 0.00000000 0.00000000 0.00000000 0.00000000 -1.96079497 37 0.00000000 0.00000000 0.00000000 0.00000000 0.57004011 38 0.00000000 0.00000000 0.00000000 0.00000000 0.99841380 39 0.00000000 0.00000000 0.00000000 0.00000000 0.39896370 40 0.00000000 0.00000000 -0.26457306 -0.15926657 0.00000000 41 0.00000000 0.00000000 0.15926657 -0.26457306 0.00000000 42 0.00000000 0.00000000 0.00000000 0.00000000 1.55946318 43 0.00000000 0.00000000 0.75750508 0.45599971 0.00000000 44 0.00000000 0.00000000 -0.45599971 0.75750508 0.00000000 45 0.00000000 0.00000000 0.00000000 0.00000000 -4.97988897 46 0.00000000 0.00000000 -0.03138604 -0.01889364 0.00000000 47 0.00000000 0.00000000 0.01889364 -0.03138604 0.00000000 48 0.00000000 0.00000000 0.00000000 0.00000000 0.51900934 49 0.02117054 0.00005228 0.00000000 0.00000000 -0.16142326 50 -0.00006037 0.02444563 0.00000000 0.00000000 0.00000000 51 0.00000000 0.00000000 -0.11400089 -0.06862578 0.00000000 52 -0.02117054 -0.00005228 0.00000000 0.00000000 -0.16142326 53 0.00000000 0.00000000 0.06862578 -0.11400089 0.00000000 54 0.00000000 0.00000000 0.00000000 0.00000000 0.34011210 55 0.01356593 0.00003350 0.00000000 0.00000000 -0.02054215 56 -0.00003868 0.01566458 0.00000000 0.00000000 0.00000000 57 0.00000000 0.00000000 -0.06413607 -0.03860836 0.00000000 58 -0.01356593 -0.00003350 0.00000000 0.00000000 -0.02054215 59 0.00000000 0.00000000 0.03860836 -0.06413607 0.00000000 60 0.00000000 0.00000000 0.00000000 0.00000000 0.29104731 61 0.00000000 0.00000000 -0.73109860 -0.44010365 0.00000000 62 0.00000000 0.00000000 0.19682034 -0.32695723 0.00000000 63 -0.65152599 -0.00160892 0.00000000 0.00000000 1.43456216 64 0.00000000 0.00000000 -0.32695723 -0.19682034 0.00000000 65 0.00185782 -0.75231741 0.00000000 0.00000000 0.00000000 66 0.00000000 0.00000000 0.52369104 0.31524932 0.00000000 67 0.00000000 0.00000000 0.44010365 -0.73109860 0.00000000 68 0.65152599 0.00160892 0.00000000 0.00000000 1.43456216 69 0.00000000 0.00000000 -0.31524932 0.52369104 0.00000000 70 0.00000000 0.00000000 0.00000000 0.00000000 1.52900888 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 0.00000000 0.00000000 0.01595016 0.02368950 0.00000000 6 0.00000000 0.00000000 -0.02368950 0.01595016 0.00000000 7 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 8 0.00000000 0.00000000 -0.07968950 -0.11835649 0.00000000 9 0.00000000 0.00000000 0.11835649 -0.07968950 0.00000000 10 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 11 0.00000000 0.00000000 -0.00453658 -0.00673782 0.00000000 12 0.00000000 0.00000000 0.00673782 -0.00453658 0.00000000 13 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 14 0.00123533 -0.86556318 0.00000000 0.00000000 -0.00280848 15 0.99946628 0.00142643 0.00000000 0.00000000 -0.70648074 16 0.00000000 0.00000000 -0.49799915 -0.73963859 0.00000000 17 -0.00123533 0.86556318 0.00000000 0.00000000 0.00280848 18 0.00000000 0.00000000 0.73963859 -0.49799915 0.00000000 19 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 20 -0.00058777 0.41183726 0.00000000 0.00000000 0.00145493 21 -0.47554871 -0.00067870 0.00000000 0.00000000 0.36599196 22 0.00000000 0.00000000 0.22540070 0.33476975 0.00000000 23 0.00058777 -0.41183726 0.00000000 0.00000000 -0.00145493 24 0.00000000 0.00000000 -0.33476975 0.22540070 0.00000000 25 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 26 0.00000000 0.00000000 0.05568375 0.08270265 0.00000000 27 0.00000000 0.00000000 -0.03698575 0.02490253 0.00000000 28 0.00002756 -0.01931340 0.00000000 0.00000000 0.00015379 29 0.00000000 0.00000000 0.02490253 0.03698575 0.00000000 30 0.02230120 0.00003183 0.00000000 0.00000000 0.03868520 31 0.00000000 0.00000000 -0.00773541 -0.01148880 0.00000000 32 0.00000000 0.00000000 -0.08270265 0.05568375 0.00000000 33 -0.00002756 0.01931340 0.00000000 0.00000000 -0.00015379 34 0.00000000 0.00000000 0.01148880 -0.00773541 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 0.01486568 0.02207882 0.00000000 41 0.00000000 0.00000000 -0.02207882 0.01486568 0.00000000 42 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 43 0.00000000 0.00000000 -0.07243302 -0.10757902 0.00000000 44 0.00000000 0.00000000 0.10757902 -0.07243302 0.00000000 45 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 46 0.00000000 0.00000000 -0.01376002 -0.02043666 0.00000000 47 0.00000000 0.00000000 0.02043666 -0.01376002 0.00000000 48 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 49 0.00085627 -0.59996968 0.00000000 0.00000000 0.00400960 50 0.69278532 0.00098874 0.00000000 0.00000000 1.00862336 51 0.00000000 0.00000000 0.45459264 0.67517035 0.00000000 52 -0.00085627 0.59996968 0.00000000 0.00000000 -0.00400960 53 0.00000000 0.00000000 -0.67517035 0.45459264 0.00000000 54 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 55 -0.00039263 0.27510793 0.00000000 0.00000000 -0.00201149 56 -0.31766728 -0.00045337 0.00000000 0.00000000 -0.50599483 57 0.00000000 0.00000000 -0.19427721 -0.28854452 0.00000000 58 0.00039263 -0.27510793 0.00000000 0.00000000 0.00201149 59 0.00000000 0.00000000 0.28854452 -0.19427721 0.00000000 60 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 61 0.00000000 0.00000000 0.06083307 0.09035053 0.00000000 62 0.00000000 0.00000000 -0.04040599 0.02720538 0.00000000 63 -0.00004384 0.03071501 0.00000000 0.00000000 0.00011585 64 0.00000000 0.00000000 0.02720538 0.04040599 0.00000000 65 -0.03546663 -0.00005062 0.00000000 0.00000000 0.02914123 66 0.00000000 0.00000000 -0.02145324 -0.03186279 0.00000000 67 0.00000000 0.00000000 -0.09035053 0.06083307 0.00000000 68 0.00004384 -0.03071501 0.00000000 0.00000000 -0.00011585 69 0.00000000 0.00000000 0.03186279 -0.02145324 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 -0.91430397 -5.16686471 2 0.00000000 0.00000000 0.00000000 0.25313062 0.79283999 3 0.00000000 0.00000000 0.00000000 0.72868055 4.65413435 4 0.00000000 0.00000000 0.00000000 0.26354298 1.27547876 5 0.00000000 0.02026991 0.00727060 0.00000000 0.00000000 6 0.00000000 0.00727060 -0.02026991 0.00000000 0.00000000 7 0.00000000 0.00000000 0.00000000 0.26592124 -0.84377668 8 0.00000000 -0.10034878 -0.03599404 0.00000000 0.00000000 9 0.00000000 -0.03599404 0.10034878 0.00000000 0.00000000 10 0.00000000 0.00000000 0.00000000 -1.57047096 2.95249185 11 0.00000000 0.16174280 0.05801542 0.00000000 0.00000000 12 0.00000000 0.05801542 -0.16174280 0.00000000 0.00000000 13 0.00000000 0.00000000 0.00000000 0.24210436 0.69800131 14 -0.61183027 0.00000000 0.00000000 0.42414886 0.59000807 15 0.00324296 0.00000000 0.00000000 0.00000000 0.00000000 16 0.00000000 -0.80817154 -0.28988253 0.00000000 0.00000000 17 0.61183027 0.00000000 0.00000000 0.42414886 0.59000807 18 0.00000000 -0.28988253 0.80817154 0.00000000 0.00000000 19 0.00000000 0.00000000 0.00000000 -0.91092855 -0.66124119 20 0.31695834 0.00000000 0.00000000 -0.37269984 -0.86884002 21 -0.00168001 0.00000000 0.00000000 0.00000000 0.00000000 22 0.00000000 0.54994237 0.19725847 0.00000000 0.00000000 23 -0.31695834 0.00000000 0.00000000 -0.37269984 -0.86884002 24 0.00000000 0.19725847 -0.54994237 0.00000000 0.00000000 25 0.00000000 0.00000000 0.00000000 0.36292731 0.75375936 26 0.00000000 -0.08966574 -0.03216215 0.00000000 0.00000000 27 0.00000000 -0.01438335 0.04009974 0.00000000 0.00000000 28 0.03350236 0.00000000 0.00000000 0.30586469 -0.89312084 29 0.00000000 -0.04009974 -0.01438335 0.00000000 0.00000000 30 -0.00017758 0.00000000 0.00000000 0.00000000 0.00000000 31 0.00000000 0.19842746 0.07117382 0.00000000 0.00000000 32 0.00000000 -0.03216215 0.08966574 0.00000000 0.00000000 33 -0.03350236 0.00000000 0.00000000 0.30586469 -0.89312084 34 0.00000000 0.07117382 -0.19842746 0.00000000 0.00000000 35 0.00000000 0.00000000 0.00000000 0.82087307 -1.03206679 36 0.00000000 0.00000000 0.00000000 -0.74796995 4.54402856 37 0.00000000 0.00000000 0.00000000 0.23130099 -0.65812651 38 0.00000000 0.00000000 0.00000000 0.56334493 -4.23821712 39 0.00000000 0.00000000 0.00000000 0.22254769 -1.11090822 40 0.00000000 -0.02334155 -0.00837237 0.00000000 0.00000000 41 0.00000000 -0.00837237 0.02334155 0.00000000 0.00000000 42 0.00000000 0.00000000 0.00000000 -0.31181355 -0.80873440 43 0.00000000 0.11468528 0.04113639 0.00000000 0.00000000 44 0.00000000 0.04113639 -0.11468528 0.00000000 0.00000000 45 0.00000000 0.00000000 0.00000000 1.69838774 2.73792963 46 0.00000000 -0.16080764 -0.05767999 0.00000000 0.00000000 47 0.00000000 -0.05767999 0.16080764 0.00000000 0.00000000 48 0.00000000 0.00000000 0.00000000 -0.20687207 0.71858602 49 0.87349345 0.00000000 0.00000000 0.40401618 -0.57772504 50 -0.00462988 0.00000000 0.00000000 0.00000000 0.00000000 51 0.00000000 -0.87828352 -0.31503095 0.00000000 0.00000000 52 -0.87349345 0.00000000 0.00000000 0.40401618 -0.57772504 53 0.00000000 -0.31503095 0.87828352 0.00000000 0.00000000 54 0.00000000 0.00000000 0.00000000 -0.88239316 0.72114313 55 -0.43820438 0.00000000 0.00000000 -0.33762239 0.83469346 56 0.00232267 0.00000000 0.00000000 0.00000000 0.00000000 57 0.00000000 0.57955677 0.20788084 0.00000000 0.00000000 58 0.43820438 0.00000000 0.00000000 -0.33762239 0.83469346 59 0.00000000 0.20788084 -0.57955677 0.00000000 0.00000000 60 0.00000000 0.00000000 0.00000000 0.31569729 -0.80974172 61 0.00000000 0.08054715 0.02889141 0.00000000 0.00000000 62 0.00000000 0.01292063 -0.03602178 0.00000000 0.00000000 63 0.02523705 0.00000000 0.00000000 -0.34857901 -0.84088307 64 0.00000000 0.03602178 0.01292063 0.00000000 0.00000000 65 -0.00013377 0.00000000 0.00000000 0.00000000 0.00000000 66 0.00000000 -0.19873857 -0.07128541 0.00000000 0.00000000 67 0.00000000 0.02889141 -0.08054715 0.00000000 0.00000000 68 -0.02523705 0.00000000 0.00000000 -0.34857901 -0.84088307 69 0.00000000 -0.07128541 0.19873857 0.00000000 0.00000000 70 0.00000000 0.00000000 0.00000000 -0.84818922 -0.91695333 61 62 63 64 65 1 9.61323450 0.00000000 0.00000000 0.00000000 0.00000000 2 -2.11637812 0.00000000 0.00000000 0.00000000 0.00000000 3 -6.33178262 0.00000000 0.00000000 0.00000000 0.00000000 4 -2.55871399 0.00000000 0.00000000 0.00000000 0.00000000 5 0.00000000 0.83137249 1.04429602 0.51178170 0.06713790 6 0.00000000 1.04429602 -0.83137249 -0.06713790 0.51178170 7 0.39851315 0.00000000 0.00000000 0.00000000 0.00000000 8 0.00000000 -5.45336767 -6.85003438 -3.01204120 -0.39513354 9 0.00000000 -6.85003438 5.45336767 0.39513354 -3.01204120 10 -2.74100965 0.00000000 0.00000000 0.00000000 0.00000000 11 0.00000000 0.40511549 0.50886996 0.28083080 0.03684069 12 0.00000000 0.50886996 -0.40511549 -0.03684069 0.28083080 13 0.27038239 0.00000000 0.00000000 0.00000000 0.00000000 14 -0.41081196 0.00000000 0.00000000 0.00000000 0.00000000 15 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 16 0.00000000 0.00416379 0.00523018 -0.00727245 -0.00095403 17 -0.41081196 0.00000000 0.00000000 0.00000000 0.00000000 18 0.00000000 0.00523018 -0.00416379 0.00095403 -0.00727245 19 -0.39449245 0.00000000 0.00000000 0.00000000 0.00000000 20 0.63408690 0.00000000 0.00000000 0.00000000 0.00000000 21 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 22 0.00000000 -0.00051760 -0.00065016 -0.00882748 -0.00115803 23 0.63408690 0.00000000 0.00000000 0.00000000 0.00000000 24 0.00000000 -0.00065016 0.00051760 0.00115803 -0.00882748 25 0.67296231 0.00000000 0.00000000 0.00000000 0.00000000 26 0.00000000 3.05199484 3.83364388 1.66923830 0.21897842 27 0.00000000 1.71445766 -1.36489359 -0.09793013 0.74650606 28 0.70912012 0.00000000 0.00000000 0.00000000 0.00000000 29 0.00000000 1.36489359 1.71445766 0.74650606 0.09793013 30 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 31 0.00000000 1.36865418 1.71918139 0.68373831 0.08969596 32 0.00000000 3.83364388 -3.05199484 -0.21897842 1.66923830 33 0.70912012 0.00000000 0.00000000 0.00000000 0.00000000 34 0.00000000 1.71918139 -1.36865418 -0.08969596 0.68373831 35 1.54471690 0.00000000 0.00000000 0.00000000 0.00000000 36 9.05327853 0.00000000 0.00000000 0.00000000 0.00000000 37 -1.95709005 0.00000000 0.00000000 0.00000000 0.00000000 38 -6.07150089 0.00000000 0.00000000 0.00000000 0.00000000 39 -2.42527606 0.00000000 0.00000000 0.00000000 0.00000000 40 0.00000000 0.19158378 0.24065047 -1.36914424 -0.17961069 41 0.00000000 0.24065047 -0.19158378 0.17961069 -1.36914424 42 -0.45728792 0.00000000 0.00000000 0.00000000 0.00000000 43 0.00000000 -1.44952860 -1.82076862 8.84413322 1.16021442 44 0.00000000 -1.82076862 1.44952860 -1.16021442 8.84413322 45 2.72647419 0.00000000 0.00000000 0.00000000 0.00000000 46 0.00000000 0.07746587 0.09730572 -0.68795640 -0.09024931 47 0.00000000 0.09730572 -0.07746587 0.09024931 -0.68795640 48 -0.15098303 0.00000000 0.00000000 0.00000000 0.00000000 49 -0.43063928 0.00000000 0.00000000 0.00000000 0.00000000 50 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 51 0.00000000 -0.00642543 -0.00807106 0.00112768 0.00014793 52 -0.43063928 0.00000000 0.00000000 0.00000000 0.00000000 53 0.00000000 -0.00807106 0.00642543 -0.00014793 0.00112768 54 -0.26233687 0.00000000 0.00000000 0.00000000 0.00000000 55 0.65343597 0.00000000 0.00000000 0.00000000 0.00000000 56 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 57 0.00000000 -0.00423509 -0.00531975 -0.00544698 -0.00071456 58 0.65343597 0.00000000 0.00000000 0.00000000 0.00000000 59 0.00000000 -0.00531975 0.00423509 0.00071456 -0.00544698 60 0.47733131 0.00000000 0.00000000 0.00000000 0.00000000 61 0.00000000 0.82031464 1.03040614 -4.94321127 -0.64847339 62 0.00000000 0.46081163 -0.36685586 0.29000611 -2.21067129 63 -0.72979151 0.00000000 0.00000000 0.00000000 0.00000000 64 0.00000000 0.36685586 0.46081163 -2.21067129 -0.29000611 65 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 66 0.00000000 0.40230494 0.50533961 -2.18056745 -0.28605695 67 0.00000000 1.03040614 -0.82031464 0.64847339 -4.94321127 68 -0.72979151 0.00000000 0.00000000 0.00000000 0.00000000 69 0.00000000 0.50533961 -0.40230494 0.28605695 -2.18056745 70 -1.43928750 0.00000000 0.00000000 0.00000000 0.00000000 66 67 68 69 70 1 0.67374192 5.06903094 7.36843430 55.34597239 -55.23778927 2 -0.02292351 -1.07008739 -1.64954003 -26.79314638 26.63014411 3 -0.51849138 -3.13943261 -4.55872622 -32.46562081 32.98547950 4 -0.39018848 -1.34903984 -1.90251491 -15.66379903 15.32763483 5 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 6 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 7 -1.63582044 -1.00446882 -0.84765046 -0.10325321 0.51407416 8 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 9 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 10 8.92292662 5.78739223 2.38641600 0.43268520 -1.76791714 11 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 12 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 13 -0.85456055 -0.33907846 0.24270413 0.00306501 0.20789548 14 -0.10693879 -0.14166100 -0.20387877 3.58419758 -3.54802899 15 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 16 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 17 -0.10693879 -0.14166100 -0.20387877 3.58419758 -3.54802899 18 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 19 -0.07179921 -0.49871520 -0.77244414 3.53302687 -3.50189595 20 0.04284688 0.23211919 0.24882262 3.34076377 -3.36447014 21 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 22 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 23 0.04284688 0.23211919 0.24882262 3.34076377 -3.36447014 24 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 25 0.21282646 0.45144690 1.33564550 3.27686291 -3.69327782 26 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 27 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 28 -2.18062618 -1.47190353 -0.68829943 -0.09774661 0.41979710 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 -2.18062618 -1.47190353 -0.68829943 -0.09774661 0.41979710 34 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 35 -4.65160127 -3.15406536 -0.62186670 -0.26725816 0.65608638 36 0.84730055 2.42396366 -9.50679960 54.37181300 56.20032325 37 -0.29470678 -0.45177522 2.09403727 -26.32286897 -27.09549766 38 -0.45219843 -1.52111899 5.91871942 -31.88334392 -33.54941647 39 -0.02308724 -0.71040331 2.48431798 -15.39355291 -15.60019198 40 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 41 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 42 -1.40660152 1.03818286 -1.12256768 0.09416366 0.51568163 43 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 44 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 45 7.56741977 -6.69347846 4.05574794 -0.40139965 -1.77474638 46 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 47 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 48 -0.75426621 0.58931606 0.12013751 -0.00677022 0.20775649 49 0.05441214 -0.08778268 0.28201243 3.52144073 3.61015494 50 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 51 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 52 0.05441214 -0.08778268 0.28201243 3.52144073 3.61015494 53 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 54 -0.04572149 -0.23109273 0.92868464 3.47102514 3.56313405 55 0.04208245 0.13847152 -0.36687690 3.28111023 3.42225621 56 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 57 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 58 0.04208245 0.13847152 -0.36687690 3.28111023 3.42225621 59 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 60 -0.11297404 0.03880766 -1.47002968 3.21153583 3.74991817 61 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 62 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 63 -1.84331057 1.65738462 -1.10492329 0.09033808 0.42135603 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 -1.84331057 1.65738462 -1.10492329 0.09033808 0.42135603 69 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 70 -3.89390443 3.81542237 -1.55707541 0.25556829 0.66041110 ----------------------------------------- UHF spin-down orbital coefficients ----------------------------------------- 1 2 3 4 5 1 0.18539668 0.73729390 -0.06884274 0.08620034 0.00000000 2 -0.01473062 0.02768972 -0.08641907 -0.35200289 0.00000000 3 -0.04302718 -0.75720545 0.79490691 2.79426047 0.00000000 4 -0.02910476 1.09418503 -0.00953971 -2.32473932 0.00000000 5 0.00000000 0.00000000 0.00000000 0.00000000 0.39232786 6 0.00000000 0.00000000 0.00000000 0.00000000 -0.15197883 7 0.00218596 0.02074663 0.09993008 -0.04015351 0.00000000 8 0.00000000 0.00000000 0.00000000 0.00000000 -1.42234773 9 0.00000000 0.00000000 0.00000000 0.00000000 0.55098494 10 -0.00049365 -0.07963024 -0.36730798 0.14551561 0.00000000 11 0.00000000 0.00000000 0.00000000 0.00000000 0.72551279 12 0.00000000 0.00000000 0.00000000 0.00000000 -0.28104704 13 0.01327989 0.03034712 0.16334190 -0.07064531 0.00000000 14 0.00055091 0.00813520 -0.00849349 -0.02195913 0.00000000 15 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 16 0.00000000 0.00000000 0.00000000 0.00000000 0.00138969 17 0.00055091 0.00813520 -0.00849349 -0.02195913 0.00000000 18 0.00000000 0.00000000 0.00000000 0.00000000 -0.00053833 19 0.00077095 0.00836480 -0.00601766 -0.02348563 0.00000000 20 0.00053149 0.07669498 -0.08470093 -0.29777275 0.00000000 21 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 22 0.00000000 0.00000000 0.00000000 0.00000000 -0.00930906 23 0.00053149 0.07669498 -0.08470093 -0.29777275 0.00000000 24 0.00000000 0.00000000 0.00000000 0.00000000 0.00360612 25 0.00351615 0.07522757 -0.10798362 -0.29541427 0.00000000 26 0.00000000 0.00000000 0.00000000 0.00000000 0.57441641 27 0.00000000 0.00000000 0.00000000 0.00000000 -0.09951208 28 0.00053755 0.01456127 0.06378179 -0.02914378 0.00000000 29 0.00000000 0.00000000 0.00000000 0.00000000 0.25688683 30 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 31 0.00000000 0.00000000 0.00000000 0.00000000 0.25337449 32 0.00000000 0.00000000 0.00000000 0.00000000 -0.22251576 33 0.00053755 0.01456127 0.06378179 -0.02914378 0.00000000 34 0.00000000 0.00000000 0.00000000 0.00000000 -0.09815148 35 0.00221922 0.03108954 0.14474226 -0.05688075 0.00000000 36 0.96845693 -0.28595029 -0.09423841 -0.12843975 0.00000000 37 -0.00836573 -0.01436429 -0.24709492 0.09225234 0.00000000 38 -0.00954415 0.09415900 2.48149782 -0.87150363 0.00000000 39 0.00023687 -0.52013637 -2.10455034 1.32947166 0.00000000 40 0.00000000 0.00000000 0.00000000 0.00000000 0.50823794 41 0.00000000 0.00000000 0.00000000 0.00000000 -0.19687974 42 -0.00112456 0.01205562 -0.02270412 -0.15227729 0.00000000 43 0.00000000 0.00000000 0.00000000 0.00000000 -1.82994393 44 0.00000000 0.00000000 0.00000000 0.00000000 0.70887837 45 0.00256117 -0.05899609 0.07908190 0.54820435 0.00000000 46 0.00000000 0.00000000 0.00000000 0.00000000 1.02043771 47 0.00000000 0.00000000 0.00000000 0.00000000 -0.39529420 48 -0.00793625 -0.01793625 -0.05366791 -0.29121120 0.00000000 49 0.00078322 -0.00079852 -0.02210578 0.00516140 0.00000000 50 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 51 0.00000000 0.00000000 0.00000000 0.00000000 -0.00147435 52 0.00078322 -0.00079852 -0.02210578 0.00516140 0.00000000 53 0.00000000 0.00000000 0.00000000 0.00000000 0.00057113 54 0.00072960 -0.00147304 -0.02188178 0.00839401 0.00000000 55 0.00044446 -0.01363735 -0.25930626 0.08767215 0.00000000 56 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 57 0.00000000 0.00000000 0.00000000 0.00000000 0.00895159 58 0.00044446 -0.01363735 -0.25930626 0.08767215 0.00000000 59 0.00000000 0.00000000 0.00000000 0.00000000 -0.00346764 60 0.00226012 -0.00464513 -0.26849803 0.06496954 0.00000000 61 0.00000000 0.00000000 0.00000000 0.00000000 0.74070984 62 0.00000000 0.00000000 0.00000000 0.00000000 -0.12832080 63 -0.00052701 0.00930976 -0.01157759 -0.09852495 0.00000000 64 0.00000000 0.00000000 0.00000000 0.00000000 0.33125551 65 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 66 0.00000000 0.00000000 0.00000000 0.00000000 0.32864871 67 0.00000000 0.00000000 0.00000000 0.00000000 -0.28693403 68 -0.00052701 0.00930976 -0.01157759 -0.09852495 0.00000000 69 0.00000000 0.00000000 0.00000000 0.00000000 -0.12731098 70 -0.00166309 0.01950152 -0.03249578 -0.21849271 0.00000000 6 7 8 9 10 1 0.00000000 -0.00477645 0.00000000 0.00000000 -0.37824643 2 0.00000000 -0.13201893 0.00000000 0.00000000 0.11902922 3 0.00000000 1.08426435 0.00000000 0.00000000 -0.32635235 4 0.00000000 -0.39905354 0.00000000 0.00000000 -0.92507641 5 0.15197883 0.00000000 -0.66687413 0.07674608 0.00000000 6 0.39232786 0.00000000 0.07674608 0.66687413 0.00000000 7 0.00000000 -0.46702822 0.00000000 0.00000000 -0.80609498 8 -0.55098494 0.00000000 2.43383768 -0.28009408 0.00000000 9 -1.42234773 0.00000000 -0.28009408 -2.43383768 0.00000000 10 0.00000000 1.70566793 0.00000000 0.00000000 2.97195337 11 0.28104704 0.00000000 -1.39543581 0.16059136 0.00000000 12 0.72551279 0.00000000 0.16059136 1.39543581 0.00000000 13 0.00000000 -0.88557339 0.00000000 0.00000000 -2.29725567 14 0.00000000 -0.00497128 0.00000000 0.00000000 -0.00931461 15 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 16 0.00053833 0.00000000 -0.00077649 0.00008936 0.00000000 17 0.00000000 -0.00497128 0.00000000 0.00000000 -0.00931461 18 0.00138969 0.00000000 0.00008936 0.00077649 0.00000000 19 0.00000000 -0.00747634 0.00000000 0.00000000 -0.00230745 20 0.00000000 -0.11467860 0.00000000 0.00000000 0.02369886 21 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 22 -0.00360612 0.00000000 0.00290087 -0.00033384 0.00000000 23 0.00000000 -0.11467860 0.00000000 0.00000000 0.02369886 24 -0.00930906 0.00000000 -0.00033384 -0.00290087 0.00000000 25 0.00000000 -0.07548666 0.00000000 0.00000000 -0.03998901 26 0.22251576 0.00000000 -0.96776938 0.11137410 0.00000000 27 0.25688683 0.00000000 0.04980801 0.43279963 0.00000000 28 0.00000000 -0.29869463 0.00000000 0.00000000 -0.51568416 29 0.09951208 0.00000000 -0.43279963 0.04980801 0.00000000 30 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 31 0.09815148 0.00000000 -0.43672971 0.05026030 0.00000000 32 0.57441641 0.00000000 0.11137410 0.96776938 0.00000000 33 0.00000000 -0.29869463 0.00000000 0.00000000 -0.51568416 34 0.25337449 0.00000000 0.05026030 0.43672971 0.00000000 35 0.00000000 -0.68468199 0.00000000 0.00000000 -1.15601653 36 0.00000000 -0.08220221 0.00000000 0.00000000 0.58471085 37 0.00000000 -0.07721164 0.00000000 0.00000000 -0.00637790 38 0.00000000 0.77702752 0.00000000 0.00000000 -0.19231950 39 0.00000000 -0.32792202 0.00000000 0.00000000 0.98226748 40 0.19687974 0.00000000 0.48938178 -0.05631967 0.00000000 41 0.50823794 0.00000000 -0.05631967 -0.48938178 0.00000000 42 0.00000000 0.50328721 0.00000000 0.00000000 -0.70777721 43 -0.70887837 0.00000000 -1.77571961 0.20435568 0.00000000 44 -1.82994393 0.00000000 0.20435568 1.77571961 0.00000000 45 0.00000000 -1.82482664 0.00000000 0.00000000 2.59848168 46 0.39529420 0.00000000 1.10223046 -0.12684832 0.00000000 47 1.02043771 0.00000000 -0.12684832 -1.10223046 0.00000000 48 0.00000000 1.06535609 0.00000000 0.00000000 -2.15609561 49 0.00000000 -0.00403115 0.00000000 0.00000000 0.01380198 50 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 51 -0.00057113 0.00000000 -0.00095111 0.00010946 0.00000000 52 0.00000000 -0.00403115 0.00000000 0.00000000 0.01380198 53 -0.00147435 0.00000000 0.00010946 0.00095111 0.00000000 54 0.00000000 -0.00546335 0.00000000 0.00000000 0.00666615 55 0.00000000 -0.08294510 0.00000000 0.00000000 0.04843489 56 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 57 0.00346764 0.00000000 0.00494376 -0.00056894 0.00000000 58 0.00000000 -0.08294510 0.00000000 0.00000000 0.04843489 59 0.00895159 0.00000000 -0.00056894 -0.00494376 0.00000000 60 0.00000000 -0.04979331 0.00000000 0.00000000 0.11689357 61 0.28693403 0.00000000 0.70691836 -0.08135450 0.00000000 62 0.33125551 0.00000000 -0.03638284 -0.31614350 0.00000000 63 0.00000000 0.32084785 0.00000000 0.00000000 -0.45245045 64 0.12832080 0.00000000 0.31614350 -0.03638284 0.00000000 65 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 66 0.12731098 0.00000000 0.32093743 -0.03693454 0.00000000 67 0.74070984 0.00000000 -0.08135450 -0.70691836 0.00000000 68 0.00000000 0.32084785 0.00000000 0.00000000 -0.45245045 69 0.32864871 0.00000000 -0.03693454 -0.32093743 0.00000000 70 0.00000000 0.73494661 0.00000000 0.00000000 -1.01180801 11 12 13 14 15 1 -0.85463265 -2.76646328 -0.19379192 0.00000000 0.00000000 2 -0.21194795 -1.49369655 -0.06678171 0.00000000 0.00000000 3 1.16806641 7.22179122 0.28430753 0.00000000 0.00000000 4 0.01965844 -0.69864915 0.05164603 0.00000000 0.00000000 5 0.00000000 0.00000000 0.00000000 1.10560117 -0.10419389 6 0.00000000 0.00000000 0.00000000 0.10419389 1.10560117 7 -0.05512236 0.20198926 -1.29016216 0.00000000 0.00000000 8 0.00000000 0.00000000 0.00000000 -4.15162382 0.39125666 9 0.00000000 0.00000000 0.00000000 -0.39125666 -4.15162382 10 0.20742113 -0.77940274 4.92959265 0.00000000 0.00000000 11 0.00000000 0.00000000 0.00000000 0.73032939 -0.06882758 12 0.00000000 0.00000000 0.00000000 0.06882758 0.73032939 13 -0.56945885 0.77668532 -0.97210482 0.00000000 0.00000000 14 -0.02251516 -0.05429740 0.01336321 0.00000000 0.00000000 15 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 16 0.00000000 0.00000000 0.00000000 0.04773591 -0.00449872 17 -0.02251516 -0.05429740 0.01336321 0.00000000 0.00000000 18 0.00000000 0.00000000 0.00000000 0.00449872 0.04773591 19 -0.00913393 -0.06185606 -0.00995662 0.00000000 0.00000000 20 -0.19209773 -1.04241925 -0.08788076 0.00000000 0.00000000 21 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 22 0.00000000 0.00000000 0.00000000 -0.34735568 0.03273544 23 -0.19209773 -1.04241925 -0.08788076 0.00000000 0.00000000 24 0.00000000 0.00000000 0.00000000 -0.03273544 -0.34735568 25 -0.33991017 -1.00228904 0.22834533 0.00000000 0.00000000 26 0.00000000 0.00000000 0.00000000 1.64307708 -0.15484660 27 0.00000000 0.00000000 0.00000000 0.06924951 0.73480641 28 -0.03410073 0.12053557 -0.83555421 0.00000000 0.00000000 29 0.00000000 0.00000000 0.00000000 0.73480641 -0.06924951 30 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 31 0.00000000 0.00000000 0.00000000 0.71295816 -0.06719049 32 0.00000000 0.00000000 0.00000000 0.15484660 1.64307708 33 -0.03410073 0.12053557 -0.83555421 0.00000000 0.00000000 34 0.00000000 0.00000000 0.00000000 0.06719049 0.71295816 35 -0.08617209 0.29222331 -1.91613209 0.00000000 0.00000000 36 -2.69267120 0.68647589 -0.15540312 0.00000000 0.00000000 37 -1.41902602 0.57209044 -0.02964106 0.00000000 0.00000000 38 6.89470245 -2.63670884 0.15492929 0.00000000 0.00000000 39 -0.62873883 0.41376809 -0.01106634 0.00000000 0.00000000 40 0.00000000 0.00000000 0.00000000 1.64591596 -0.15511414 41 0.00000000 0.00000000 0.00000000 0.15511414 1.64591596 42 -0.20073485 0.07559760 1.41810231 0.00000000 0.00000000 43 0.00000000 0.00000000 0.00000000 -6.22878890 0.58701251 44 0.00000000 0.00000000 0.00000000 -0.58701251 -6.22878890 45 0.76526886 -0.29549447 -5.44443822 0.00000000 0.00000000 46 0.00000000 0.00000000 0.00000000 1.19584059 -0.11269821 47 0.00000000 0.00000000 0.00000000 0.11269821 1.19584059 48 -0.57202862 0.73098247 1.17777611 0.00000000 0.00000000 49 -0.05498782 0.00772003 0.01292676 0.00000000 0.00000000 50 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 51 0.00000000 0.00000000 0.00000000 -0.04988898 0.00470163 52 -0.05498782 0.00772003 0.01292676 0.00000000 0.00000000 53 0.00000000 0.00000000 0.00000000 -0.00470163 -0.04988898 54 -0.05550928 0.02289879 -0.00885692 0.00000000 0.00000000 55 -0.96755590 0.35345794 -0.06742081 0.00000000 0.00000000 56 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 57 0.00000000 0.00000000 0.00000000 0.36557758 -0.03445270 58 -0.96755590 0.35345794 -0.06742081 0.00000000 0.00000000 59 0.00000000 0.00000000 0.00000000 0.03445270 0.36557758 60 -1.00263892 0.20242454 0.24113229 0.00000000 0.00000000 61 0.00000000 0.00000000 0.00000000 2.43827458 -0.22978748 62 0.00000000 0.00000000 0.00000000 0.10276408 1.09042954 63 -0.12152918 0.04252282 0.91895635 0.00000000 0.00000000 64 0.00000000 0.00000000 0.00000000 1.09042954 -0.10276408 65 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 66 0.00000000 0.00000000 0.00000000 1.07359400 -0.10117747 67 0.00000000 0.00000000 0.00000000 0.22978748 2.43827458 68 -0.12152918 0.04252282 0.91895635 0.00000000 0.00000000 69 0.00000000 0.00000000 0.00000000 0.10117747 1.07359400 70 -0.28568661 0.11512199 2.10392302 0.00000000 0.00000000 16 17 18 19 20 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 0.44376460 -0.05813641 0.07847166 -1.97097843 0.00000000 6 -0.05813641 -0.44376460 1.97097843 0.07847166 0.00000000 7 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 8 -1.68177763 0.22032517 -0.29748356 7.47191659 0.00000000 9 0.22032517 1.68177763 -7.47191659 -0.29748356 0.00000000 10 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 11 0.49471435 -0.06481120 0.05720307 -1.43677386 0.00000000 12 -0.06481120 -0.49471435 1.43677386 0.05720307 0.00000000 13 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 14 0.00000000 0.00000000 0.00000000 0.00000000 0.08268192 15 0.00000000 0.00000000 0.00000000 0.00000000 0.00015099 16 0.07126381 -0.00933608 -0.00145404 0.03652115 0.00000000 17 0.00000000 0.00000000 0.00000000 0.00000000 -0.08268192 18 -0.00933608 -0.07126381 -0.03652115 -0.00145404 0.00000000 19 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 20 0.00000000 0.00000000 0.00000000 0.00000000 -0.57212234 21 0.00000000 0.00000000 0.00000000 0.00000000 -0.00104477 22 -0.49826021 0.06527573 0.01096511 -0.27541138 0.00000000 23 0.00000000 0.00000000 0.00000000 0.00000000 0.57212234 24 0.06527573 0.49826021 0.27541138 0.01096511 0.00000000 25 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 26 0.64665799 -0.08471693 0.11552681 -2.90169552 0.00000000 27 -0.03788656 -0.28919424 1.29767769 0.05166516 0.00000000 28 0.00000000 0.00000000 0.00000000 0.00000000 -0.00790968 29 0.28919424 -0.03788656 0.05166516 -1.29767769 0.00000000 30 0.00000000 0.00000000 0.00000000 0.00000000 -0.00001444 31 0.29132989 -0.03816635 0.05209276 -1.30841778 0.00000000 32 -0.08471693 -0.64665799 2.90169552 0.11552681 0.00000000 33 0.00000000 0.00000000 0.00000000 0.00000000 0.00790968 34 -0.03816635 -0.29132989 1.30841778 0.05209276 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 -1.40971644 0.18468316 -0.02633448 0.66144516 0.00000000 41 0.18468316 1.40971644 -0.66144516 -0.02633448 0.00000000 42 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 43 5.37802929 -0.70456117 0.10080951 -2.53204001 0.00000000 44 -0.70456117 -5.37802929 2.53204001 0.10080951 0.00000000 45 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 46 -1.03132462 0.13511107 -0.02639750 0.66302798 0.00000000 47 0.13511107 1.03132462 -0.66302798 -0.02639750 0.00000000 48 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 49 0.00000000 0.00000000 0.00000000 0.00000000 0.10012841 50 0.00000000 0.00000000 0.00000000 0.00000000 0.00018285 51 -0.07020399 0.00919724 0.00172975 -0.04344634 0.00000000 52 0.00000000 0.00000000 0.00000000 0.00000000 -0.10012841 53 0.00919724 0.07020399 0.04344634 0.00172975 0.00000000 54 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 55 0.00000000 0.00000000 0.00000000 0.00000000 -0.71600394 56 0.00000000 0.00000000 0.00000000 0.00000000 -0.00130751 57 0.52677962 -0.06901198 -0.01206565 0.30305372 0.00000000 58 0.00000000 0.00000000 0.00000000 0.00000000 0.71600394 59 -0.06901198 -0.52677962 -0.30305372 -0.01206565 0.00000000 60 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 61 -2.07659863 0.27204961 -0.03837044 0.96375329 0.00000000 62 0.12166428 0.92868314 -0.43100357 -0.01715978 0.00000000 63 0.00000000 0.00000000 0.00000000 0.00000000 0.00616804 64 -0.92868314 0.12166428 -0.01715978 0.43100357 0.00000000 65 0.00000000 0.00000000 0.00000000 0.00000000 0.00001126 66 -0.94111477 0.12329292 -0.01766769 0.44376065 0.00000000 67 0.27204961 2.07659863 -0.96375329 -0.03837044 0.00000000 68 0.00000000 0.00000000 0.00000000 0.00000000 -0.00616804 69 0.12329292 0.94111477 -0.44376065 -0.01766769 0.00000000 70 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 21 22 23 24 25 1 0.00000000 0.00000000 0.00000000 0.28179398 -0.18190342 2 0.00000000 0.00000000 0.00000000 -0.17551774 -0.09342857 3 0.00000000 0.00000000 0.00000000 0.05571977 -0.18774860 4 0.00000000 0.00000000 0.00000000 0.64545590 0.22222997 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 1.70936961 1.22146749 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 -6.56194825 -4.61017736 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 2.09441676 0.93964545 14 0.00013076 -0.09959548 -0.00008255 0.02278513 0.03961636 15 -0.09547286 -0.00009533 0.11500295 0.00000000 0.00000000 16 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 17 -0.00013076 0.09959548 0.00008255 0.02278513 0.03961636 18 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 19 0.00000000 0.00000000 0.00000000 0.00976544 -0.07232846 20 -0.00090480 0.74040190 0.00061372 0.01048437 -0.28195229 21 0.66062997 0.00070866 -0.85494248 0.00000000 0.00000000 22 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 23 0.00090480 -0.74040190 -0.00061372 0.01048437 -0.28195229 24 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 25 0.00000000 0.00000000 0.00000000 0.23133280 0.72282361 26 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 27 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 28 -0.00001251 -0.00799618 -0.00000663 1.10592367 0.81609992 29 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 30 0.00913332 -0.00000765 0.00923319 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 0.00001251 0.00799618 0.00000663 1.10592367 0.81609992 34 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 35 0.00000000 0.00000000 0.00000000 2.48299588 1.78752904 36 0.00000000 0.00000000 0.00000000 -0.25915707 -0.20359642 37 0.00000000 0.00000000 0.00000000 0.18579069 -0.07839607 38 0.00000000 0.00000000 0.00000000 0.01443597 -0.17564312 39 0.00000000 0.00000000 0.00000000 -0.67812783 0.14824875 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 1.71868887 -0.98720430 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 -6.62363117 3.71795003 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 2.13380631 -0.71788072 49 0.00015835 0.07790141 0.00006457 -0.02967004 0.03754998 50 -0.11561833 0.00007456 -0.08995280 0.00000000 0.00000000 51 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 52 -0.00015835 -0.07790141 -0.00006457 -0.02967004 0.03754998 53 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 54 0.00000000 0.00000000 0.00000000 -0.00159498 -0.07337536 55 -0.00113234 -0.60045215 -0.00049772 0.01561461 -0.28732086 56 0.82677013 -0.00057471 0.69334242 0.00000000 0.00000000 57 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 58 0.00113234 0.60045215 0.00049772 0.01561461 -0.28732086 59 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 60 0.00000000 0.00000000 0.00000000 -0.36057125 0.72003763 61 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 62 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 63 0.00000975 -0.00998193 -0.00000827 1.11587948 -0.66517326 64 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 65 -0.00712224 -0.00000955 0.01152613 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 -0.00000975 0.00998193 0.00000827 1.11587948 -0.66517326 69 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 70 0.00000000 0.00000000 0.00000000 2.49769395 -1.44635128 26 27 28 29 30 1 0.00000000 0.00000000 0.62998308 1.38105238 -0.58978705 2 0.00000000 0.00000000 -0.26456219 0.31213375 0.58057570 3 0.00000000 0.00000000 -1.44122575 -6.39600931 0.90577443 4 0.00000000 0.00000000 0.03298918 0.50698637 -0.34338972 5 0.20516011 0.15259265 0.00000000 0.00000000 0.00000000 6 0.15259265 -0.20516011 0.00000000 0.00000000 0.00000000 7 0.00000000 0.00000000 0.06679559 -0.07781427 -0.17966082 8 -0.76970418 -0.57248554 0.00000000 0.00000000 0.00000000 9 -0.57248554 0.76970418 0.00000000 0.00000000 0.00000000 10 0.00000000 0.00000000 -0.26295258 0.34039568 0.48481567 11 0.35721714 0.26568863 0.00000000 0.00000000 0.00000000 12 0.26568863 -0.35721714 0.00000000 0.00000000 0.00000000 13 0.00000000 0.00000000 0.48623604 -1.07199416 -1.16327527 14 0.00000000 0.00000000 0.04799148 0.05533093 -0.09833628 15 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 16 -0.08617279 -0.06409303 0.00000000 0.00000000 0.00000000 17 0.00000000 0.00000000 0.04799148 0.05533093 -0.09833628 18 -0.06409303 0.08617279 0.00000000 0.00000000 0.00000000 19 0.00000000 0.00000000 0.03966597 0.17524875 0.05472516 20 0.00000000 0.00000000 0.57434282 2.05184088 -0.18247671 21 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 22 0.73000692 0.54295977 0.00000000 0.00000000 0.00000000 23 0.00000000 0.00000000 0.57434282 2.05184088 -0.18247671 24 0.54295977 -0.73000692 0.00000000 0.00000000 0.00000000 25 0.00000000 0.00000000 0.77544722 0.87282976 -1.71124196 26 0.31068809 0.23108156 0.00000000 0.00000000 0.00000000 27 0.10334281 -0.13894394 0.00000000 0.00000000 0.00000000 28 0.00000000 0.00000000 0.03673008 -0.05006837 -0.15600557 29 0.13894394 0.10334281 0.00000000 0.00000000 0.00000000 30 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 31 0.09968825 0.07414548 0.00000000 0.00000000 0.00000000 32 0.23108156 -0.31068809 0.00000000 0.00000000 0.00000000 33 0.00000000 0.00000000 0.03673008 -0.05006837 -0.15600557 34 0.07414548 -0.09968825 0.00000000 0.00000000 0.00000000 35 0.00000000 0.00000000 0.11945488 -0.07364039 -0.17657171 36 0.00000000 0.00000000 1.50109062 -0.37877526 0.49948661 37 0.00000000 0.00000000 0.09157401 -0.43213804 -0.54928336 38 0.00000000 0.00000000 -5.99333302 2.97181892 -0.62237195 39 0.00000000 0.00000000 0.45235680 -0.29468637 0.32836547 40 -0.19967656 -0.14851413 0.00000000 0.00000000 0.00000000 41 -0.14851413 0.19967656 0.00000000 0.00000000 0.00000000 42 0.00000000 0.00000000 0.02738500 -0.09490307 -0.20387999 43 0.74725519 0.55578858 0.00000000 0.00000000 0.00000000 44 0.55578858 -0.74725519 0.00000000 0.00000000 0.00000000 45 0.00000000 0.00000000 -0.14237545 0.38850181 0.55150136 46 -0.35565066 -0.26452352 0.00000000 0.00000000 0.00000000 47 -0.26452352 0.35565066 0.00000000 0.00000000 0.00000000 48 0.00000000 0.00000000 0.46020196 -1.08045424 -1.16615842 49 0.00000000 0.00000000 0.08285212 0.00272667 0.09257069 50 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 51 -0.08029281 -0.05971966 0.00000000 0.00000000 0.00000000 52 0.00000000 0.00000000 0.08285212 0.00272667 0.09257069 53 -0.05971966 0.08029281 0.00000000 0.00000000 0.00000000 54 0.00000000 0.00000000 0.15764377 -0.08214048 -0.05832440 55 0.00000000 0.00000000 1.97074175 -0.86730874 0.08921372 56 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 57 0.70215769 0.52224625 0.00000000 0.00000000 0.00000000 58 0.00000000 0.00000000 1.97074175 -0.86730874 0.08921372 59 0.52224625 -0.70215769 0.00000000 0.00000000 0.00000000 60 0.00000000 0.00000000 1.29994214 0.07988365 1.61274216 61 -0.30358791 -0.22580063 0.00000000 0.00000000 0.00000000 62 -0.10098111 0.13576864 0.00000000 0.00000000 0.00000000 63 0.00000000 0.00000000 0.01923382 -0.05699105 -0.17243046 64 -0.13576864 -0.10098111 0.00000000 0.00000000 0.00000000 65 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 66 -0.09404880 -0.06995101 0.00000000 0.00000000 0.00000000 67 -0.22580063 0.30358791 0.00000000 0.00000000 0.00000000 68 0.00000000 0.00000000 0.01923382 -0.05699105 -0.17243046 69 -0.06995101 0.09404880 0.00000000 0.00000000 0.00000000 70 0.00000000 0.00000000 0.00029002 -0.12740826 -0.20446348 31 32 33 34 35 1 0.00000000 0.00000000 0.00000000 0.00000000 -0.16851731 2 0.00000000 0.00000000 0.00000000 0.00000000 0.03292119 3 0.00000000 0.00000000 0.00000000 0.00000000 0.34708158 4 0.00000000 0.00000000 0.00000000 0.00000000 0.03907285 5 -2.26126216 0.29458009 -3.41790996 -0.31890303 0.00000000 6 -0.29458009 -2.26126216 0.31890303 -3.41790996 0.00000000 7 0.00000000 0.00000000 0.00000000 0.00000000 -2.41843229 8 6.99455743 -0.91119791 10.69671086 0.99804077 0.00000000 9 0.91119791 6.99455743 -0.99804077 10.69671086 0.00000000 10 0.00000000 0.00000000 0.00000000 0.00000000 7.49613322 11 -0.63309037 0.08247421 -1.18375651 -0.11044865 0.00000000 12 -0.08247421 -0.63309037 0.11044865 -1.18375651 0.00000000 13 0.00000000 0.00000000 0.00000000 0.00000000 -0.77886293 14 0.00000000 0.00000000 0.00000000 0.00000000 -0.01474143 15 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 16 0.00854285 -0.00111290 -0.00804863 -0.00075097 0.00000000 17 0.00000000 0.00000000 0.00000000 0.00000000 -0.01474143 18 0.00111290 0.00854285 0.00075097 -0.00804863 0.00000000 19 0.00000000 0.00000000 0.00000000 0.00000000 0.06152138 20 0.00000000 0.00000000 0.00000000 0.00000000 0.01490355 21 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 22 -0.03351616 0.00436623 -0.00958543 -0.00089435 0.00000000 23 0.00000000 0.00000000 0.00000000 0.00000000 0.01490355 24 -0.00436623 -0.03351616 0.00089435 -0.00958543 0.00000000 25 0.00000000 0.00000000 0.00000000 0.00000000 -0.24115903 26 -3.43185875 0.44707654 -5.09207488 -0.47510851 0.00000000 27 -0.19993871 -1.53477389 0.21247498 -2.27724511 0.00000000 28 0.00000000 0.00000000 0.00000000 0.00000000 -1.59331885 29 -1.53477389 0.19993871 -2.27724511 -0.21247498 0.00000000 30 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 31 -1.45619044 0.18970145 -2.32379642 -0.21681838 0.00000000 32 -0.44707654 -3.43185875 0.47510851 -5.09207488 0.00000000 33 0.00000000 0.00000000 0.00000000 0.00000000 -1.59331885 34 -0.18970145 -1.45619044 0.21681838 -2.32379642 0.00000000 35 0.00000000 0.00000000 0.00000000 0.00000000 -3.68124415 36 0.00000000 0.00000000 0.00000000 0.00000000 -0.19985289 37 0.00000000 0.00000000 0.00000000 0.00000000 0.01646888 38 0.00000000 0.00000000 0.00000000 0.00000000 0.35113415 39 0.00000000 0.00000000 0.00000000 0.00000000 -0.06460419 40 -3.20445703 0.41745237 2.58413846 0.24110921 0.00000000 41 -0.41745237 -3.20445703 -0.24110921 2.58413846 0.00000000 42 0.00000000 0.00000000 0.00000000 0.00000000 3.40535638 43 9.94904555 -1.29608622 -8.10848517 -0.75655020 0.00000000 44 1.29608622 9.94904555 0.75655020 -8.10848517 0.00000000 45 0.00000000 0.00000000 0.00000000 0.00000000 -10.64907176 46 -0.97233856 0.12666890 0.94249564 0.08793816 0.00000000 47 -0.12666890 -0.97233856 -0.08793816 0.94249564 0.00000000 48 0.00000000 0.00000000 0.00000000 0.00000000 1.15560128 49 0.00000000 0.00000000 0.00000000 0.00000000 -0.00962485 50 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 51 -0.00580663 0.00075644 -0.01028559 -0.00095968 0.00000000 52 0.00000000 0.00000000 0.00000000 0.00000000 -0.00962485 53 -0.00075644 -0.00580663 0.00095968 -0.01028559 0.00000000 54 0.00000000 0.00000000 0.00000000 0.00000000 0.03848287 55 0.00000000 0.00000000 0.00000000 0.00000000 0.00297094 56 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 57 0.03357064 -0.00437333 0.00103502 0.00009657 0.00000000 58 0.00000000 0.00000000 0.00000000 0.00000000 0.00297094 59 0.00437333 0.03357064 -0.00009657 0.00103502 0.00000000 60 0.00000000 0.00000000 0.00000000 0.00000000 -0.09855470 61 -4.82319778 0.62832964 3.81984361 0.35640485 0.00000000 62 -0.28099756 -2.15699962 -0.15938910 1.70828599 0.00000000 63 0.00000000 0.00000000 0.00000000 0.00000000 2.22270435 64 -2.15699962 0.28099756 1.70828599 0.15938910 0.00000000 65 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 66 -2.09451859 0.27285800 1.78152728 0.16622276 0.00000000 67 -0.62832964 -4.82319778 -0.35640485 3.81984361 0.00000000 68 0.00000000 0.00000000 0.00000000 0.00000000 2.22270435 69 -0.27285800 -2.09451859 -0.16622276 1.78152728 0.00000000 70 0.00000000 0.00000000 0.00000000 0.00000000 5.14992567 36 37 38 39 40 1 0.12440212 0.00000000 0.00000000 0.38777186 0.00000000 2 0.05063099 0.00000000 0.00000000 -0.05192343 0.00000000 3 -0.05253140 0.00000000 0.00000000 -0.76691632 0.00000000 4 0.38919572 0.00000000 0.00000000 -0.01023949 0.00000000 5 0.00000000 -0.31628801 0.28194843 0.00000000 0.00000000 6 0.00000000 0.28194843 0.31628801 0.00000000 0.00000000 7 4.05420466 0.00000000 0.00000000 -0.38281693 0.00000000 8 0.00000000 0.98816218 -0.88087682 0.00000000 0.00000000 9 0.00000000 -0.88087682 -0.98816218 0.00000000 0.00000000 10 -12.92079408 0.00000000 0.00000000 1.54541748 0.00000000 11 0.00000000 -0.10242272 0.09130262 0.00000000 0.00000000 12 0.00000000 0.09130262 0.10242272 0.00000000 0.00000000 13 1.52583053 0.00000000 0.00000000 -0.25057729 0.00000000 14 -0.01647935 0.00000000 0.00000000 0.06909952 0.01969859 15 0.00000000 0.00000000 0.00000000 0.00000000 0.00006090 16 0.00000000 0.02033018 -0.01812292 0.00000000 0.00000000 17 -0.01647935 0.00000000 0.00000000 0.06909952 -0.01969859 18 0.00000000 -0.01812292 -0.02033018 0.00000000 0.00000000 19 0.08249701 0.00000000 0.00000000 -0.02189534 0.00000000 20 0.04213770 0.00000000 0.00000000 0.18805745 0.01454158 21 0.00000000 0.00000000 0.00000000 0.00000000 0.00004496 22 0.00000000 0.04196061 -0.03740492 0.00000000 0.00000000 23 0.04213770 0.00000000 0.00000000 0.18805745 -0.01454158 24 0.00000000 -0.03740492 -0.04196061 0.00000000 0.00000000 25 -0.46620333 0.00000000 0.00000000 0.23391692 0.00000000 26 0.00000000 -0.14562608 0.12981536 0.00000000 0.00000000 27 0.00000000 0.05805520 0.06512596 0.00000000 0.00000000 28 2.61098912 0.00000000 0.00000000 0.15893819 -0.56969953 29 0.00000000 -0.06512596 0.05805520 0.00000000 0.00000000 30 0.00000000 0.00000000 0.00000000 0.00000000 -0.00176122 31 0.00000000 -0.75646500 0.67433514 0.00000000 0.00000000 32 0.00000000 0.12981536 0.14562608 0.00000000 0.00000000 33 2.61098912 0.00000000 0.00000000 0.15893819 0.56969953 34 0.00000000 0.67433514 0.75646500 0.00000000 0.00000000 35 6.09171373 0.00000000 0.00000000 -1.36368427 0.00000000 36 -0.07973457 0.00000000 0.00000000 0.39681557 0.00000000 37 -0.05437839 0.00000000 0.00000000 -0.05207627 0.00000000 38 -0.03567584 0.00000000 0.00000000 -0.76682035 0.00000000 39 -0.38518807 0.00000000 0.00000000 -0.00989912 0.00000000 40 0.00000000 -0.29728441 0.26500807 0.00000000 0.00000000 41 0.00000000 0.26500807 0.29728441 0.00000000 0.00000000 42 3.30042274 0.00000000 0.00000000 0.33321921 0.00000000 43 0.00000000 0.92878610 -0.82794724 0.00000000 0.00000000 44 0.00000000 -0.82794724 -0.92878610 0.00000000 0.00000000 45 -10.57017459 0.00000000 0.00000000 -1.38576692 0.00000000 46 0.00000000 -0.09846340 0.08777317 0.00000000 0.00000000 47 0.00000000 0.08777317 0.09846340 0.00000000 0.00000000 48 1.28018065 0.00000000 0.00000000 0.23812759 0.00000000 49 0.02023194 0.00000000 0.00000000 0.07034646 0.01787347 50 0.00000000 0.00000000 0.00000000 0.00000000 0.00005526 51 0.00000000 -0.01922584 0.01713848 0.00000000 0.00000000 52 0.02023194 0.00000000 0.00000000 0.07034646 -0.01787347 53 0.00000000 0.01713848 0.01922584 0.00000000 0.00000000 54 -0.09598162 0.00000000 0.00000000 -0.02330793 0.00000000 55 -0.04471528 0.00000000 0.00000000 0.18731826 0.01184736 56 0.00000000 0.00000000 0.00000000 0.00000000 0.00003663 57 0.00000000 -0.03730623 0.03325587 0.00000000 0.00000000 58 -0.04471528 0.00000000 0.00000000 0.18731826 -0.01184736 59 0.00000000 0.03325587 0.03730623 0.00000000 0.00000000 60 0.50911716 0.00000000 0.00000000 0.21491360 0.00000000 61 0.00000000 -0.10707295 0.09544798 0.00000000 0.00000000 62 0.00000000 0.04268563 0.04788448 0.00000000 0.00000000 63 2.10989071 0.00000000 0.00000000 -0.19660087 0.64360550 64 0.00000000 -0.04788448 0.04268563 0.00000000 0.00000000 65 0.00000000 0.00000000 0.00000000 0.00000000 0.00198970 66 0.00000000 -0.76121066 0.67856556 0.00000000 0.00000000 67 0.00000000 0.09544798 0.10707295 0.00000000 0.00000000 68 2.10989071 0.00000000 0.00000000 -0.19660087 -0.64360550 69 0.00000000 0.67856556 0.76121066 0.00000000 0.00000000 70 4.94412793 0.00000000 0.00000000 1.30141176 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 0.00005274 0.00000000 0.00000000 0.00000000 0.00000000 15 -0.02274598 0.00000000 0.00000000 0.00000000 0.00000000 16 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 17 -0.00005274 0.00000000 0.00000000 0.00000000 0.00000000 18 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 19 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 20 0.00003893 0.00000000 0.00000000 0.00000000 0.00000000 21 -0.01679118 0.00000000 0.00000000 0.00000000 0.00000000 22 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 23 -0.00003893 0.00000000 0.00000000 0.00000000 0.00000000 24 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 25 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 26 0.00000000 -0.24382519 0.06417881 0.49336148 0.56393758 27 0.00000000 -0.08610491 -0.32712582 -0.75660166 0.66191388 28 -0.00152526 0.00000000 0.00000000 0.00000000 0.00000000 29 0.00000000 0.32712582 -0.08610491 -0.66191388 -0.75660166 30 0.65783235 0.00000000 0.00000000 0.00000000 0.00000000 31 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 32 0.00000000 0.06417881 0.24382519 0.56393758 -0.49336148 33 0.00152526 0.00000000 0.00000000 0.00000000 0.00000000 34 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 35 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 36 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 37 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 38 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 39 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 40 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 41 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 42 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 43 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 44 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 45 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 46 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 47 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 48 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 49 0.00004785 0.00000000 0.00000000 0.00000000 0.00000000 50 -0.02063851 0.00000000 0.00000000 0.00000000 0.00000000 51 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 52 -0.00004785 0.00000000 0.00000000 0.00000000 0.00000000 53 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 54 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 55 0.00003172 0.00000000 0.00000000 0.00000000 0.00000000 56 -0.01368015 0.00000000 0.00000000 0.00000000 0.00000000 57 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 58 -0.00003172 0.00000000 0.00000000 0.00000000 0.00000000 59 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 60 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 61 0.00000000 -0.72433153 0.19065601 -0.16656729 -0.19039499 62 0.00000000 -0.25579187 -0.97179272 0.25544168 -0.22347347 63 0.00172313 0.00000000 0.00000000 0.00000000 0.00000000 64 0.00000000 0.97179272 -0.25579187 0.22347347 0.25544168 65 -0.74317161 0.00000000 0.00000000 0.00000000 0.00000000 66 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 67 0.00000000 0.19065601 0.72433153 -0.19039499 0.16656729 68 -0.00172313 0.00000000 0.00000000 0.00000000 0.00000000 69 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 70 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 46 47 48 49 50 1 0.00000000 0.00000000 0.00000000 0.00000000 -1.96079497 2 0.00000000 0.00000000 0.00000000 0.00000000 0.57004011 3 0.00000000 0.00000000 0.00000000 0.00000000 0.99841380 4 0.00000000 0.00000000 0.00000000 0.00000000 0.39896370 5 0.00000000 0.00000000 -0.23745393 -0.19743449 0.00000000 6 0.00000000 0.00000000 0.19743449 -0.23745393 0.00000000 7 0.00000000 0.00000000 0.00000000 0.00000000 -1.55946318 8 0.00000000 0.00000000 0.67985969 0.56527912 0.00000000 9 0.00000000 0.00000000 -0.56527912 0.67985969 0.00000000 10 0.00000000 0.00000000 0.00000000 0.00000000 4.97988897 11 0.00000000 0.00000000 -0.02816893 -0.02342146 0.00000000 12 0.00000000 0.00000000 0.02342146 -0.02816893 0.00000000 13 0.00000000 0.00000000 0.00000000 0.00000000 -0.51900934 14 0.02117051 -0.00006081 0.00000000 0.00000000 -0.16142326 15 -0.00007022 -0.02444560 0.00000000 0.00000000 0.00000000 16 0.00000000 0.00000000 0.10231563 0.08507180 0.00000000 17 -0.02117051 0.00006081 0.00000000 0.00000000 -0.16142326 18 0.00000000 0.00000000 -0.08507180 0.10231563 0.00000000 19 0.00000000 0.00000000 0.00000000 0.00000000 0.34011210 20 0.01356591 -0.00003897 0.00000000 0.00000000 -0.02054215 21 -0.00004500 -0.01566456 0.00000000 0.00000000 0.00000000 22 0.00000000 0.00000000 0.05756203 0.04786078 0.00000000 23 -0.01356591 0.00003897 0.00000000 0.00000000 -0.02054215 24 0.00000000 0.00000000 -0.04786078 0.05756203 0.00000000 25 0.00000000 0.00000000 0.00000000 0.00000000 0.29104731 26 0.00000000 0.00000000 -0.65615991 -0.54557360 0.00000000 27 0.00000000 0.00000000 0.24398793 -0.29344363 0.00000000 28 0.65152528 -0.00187158 0.00000000 0.00000000 -1.43456216 29 0.00000000 0.00000000 -0.29344363 -0.24398793 0.00000000 30 -0.00216112 -0.75231660 0.00000000 0.00000000 0.00000000 31 0.00000000 0.00000000 0.47001193 0.39079818 0.00000000 32 0.00000000 0.00000000 0.54557360 -0.65615991 0.00000000 33 -0.65152528 0.00187158 0.00000000 0.00000000 -1.43456216 34 0.00000000 0.00000000 -0.39079818 0.47001193 0.00000000 35 0.00000000 0.00000000 0.00000000 0.00000000 -1.52900888 36 0.00000000 0.00000000 0.00000000 0.00000000 1.99822186 37 0.00000000 0.00000000 0.00000000 0.00000000 -0.57905017 38 0.00000000 0.00000000 0.00000000 0.00000000 -1.02053552 39 0.00000000 0.00000000 0.00000000 0.00000000 -0.40891326 40 0.00000000 0.00000000 0.24052048 0.19998422 0.00000000 41 0.00000000 0.00000000 -0.19998422 0.24052048 0.00000000 42 0.00000000 0.00000000 0.00000000 0.00000000 -1.55743189 43 0.00000000 0.00000000 -0.68731720 -0.57147978 0.00000000 44 0.00000000 0.00000000 0.57147978 -0.68731720 0.00000000 45 0.00000000 0.00000000 0.00000000 0.00000000 4.98107574 46 0.00000000 0.00000000 0.02917828 0.02426070 0.00000000 47 0.00000000 0.00000000 -0.02426070 0.02917828 0.00000000 48 0.00000000 0.00000000 0.00000000 0.00000000 -0.52211643 49 -0.02457446 0.00007059 0.00000000 0.00000000 0.16501690 50 0.00008151 0.02837614 0.00000000 0.00000000 0.00000000 51 0.00000000 0.00000000 0.10762725 0.08948822 0.00000000 52 0.02457446 -0.00007059 0.00000000 0.00000000 0.16501690 53 0.00000000 0.00000000 -0.08948822 0.10762725 0.00000000 54 0.00000000 0.00000000 0.00000000 0.00000000 -0.35605034 55 -0.01435236 0.00004123 0.00000000 0.00000000 0.01824681 56 0.00004761 0.01657268 0.00000000 0.00000000 0.00000000 57 0.00000000 0.00000000 0.05604102 0.04659611 0.00000000 58 0.01435236 -0.00004123 0.00000000 0.00000000 0.01824681 59 0.00000000 0.00000000 -0.04659611 0.05604102 0.00000000 60 0.00000000 0.00000000 0.00000000 0.00000000 -0.28164868 61 0.00000000 0.00000000 0.64896824 0.53959398 0.00000000 62 0.00000000 0.00000000 -0.24131376 0.29022742 0.00000000 63 0.57869553 -0.00166237 0.00000000 0.00000000 -1.42739029 64 0.00000000 0.00000000 0.29022742 0.24131376 0.00000000 65 -0.00191954 -0.66822005 0.00000000 0.00000000 0.00000000 66 0.00000000 0.00000000 -0.45187363 -0.37571683 0.00000000 67 0.00000000 0.00000000 -0.53959398 0.64896824 0.00000000 68 -0.57869553 0.00166237 0.00000000 0.00000000 -1.42739029 69 0.00000000 0.00000000 0.37571683 -0.45187363 0.00000000 70 0.00000000 0.00000000 0.00000000 0.00000000 -1.53617714 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 0.00000000 0.00000000 0.00842173 -0.02524950 0.00000000 6 0.00000000 0.00000000 -0.02524950 -0.00842173 0.00000000 7 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 8 0.00000000 0.00000000 -0.04103487 0.12302816 0.00000000 9 0.00000000 0.00000000 0.12302816 0.04103487 0.00000000 10 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 11 0.00000000 0.00000000 -0.00779535 0.02337151 0.00000000 12 0.00000000 0.00000000 0.02337151 0.00779535 0.00000000 13 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 14 0.00189649 0.59996730 0.00000000 0.00000000 0.00216269 15 -0.69278256 0.00218988 0.00000000 0.00000000 1.00863089 16 0.00000000 0.00000000 -0.25753651 0.77212979 0.00000000 17 -0.00189649 -0.59996730 0.00000000 0.00000000 -0.00216269 18 0.00000000 0.00000000 0.77212979 0.25753651 0.00000000 19 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 20 -0.00086961 -0.27510684 0.00000000 0.00000000 -0.00108495 21 0.31766601 -0.00100414 0.00000000 0.00000000 -0.50599861 22 0.00000000 0.00000000 0.11006222 -0.32998164 0.00000000 23 0.00086961 0.27510684 0.00000000 0.00000000 0.00108495 24 0.00000000 0.00000000 -0.32998164 -0.11006222 0.00000000 25 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 26 0.00000000 0.00000000 0.03446324 -0.10332553 0.00000000 27 0.00000000 0.00000000 -0.04620858 -0.01541243 0.00000000 28 0.00009709 0.03071488 0.00000000 0.00000000 -0.00006248 29 0.00000000 0.00000000 0.01541243 -0.04620858 0.00000000 30 -0.03546649 0.00011211 0.00000000 0.00000000 -0.02914145 31 0.00000000 0.00000000 -0.01215372 0.03643852 0.00000000 32 0.00000000 0.00000000 -0.10332553 -0.03446324 0.00000000 33 -0.00009709 -0.03071488 0.00000000 0.00000000 0.00006248 34 0.00000000 0.00000000 0.03643852 0.01215372 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 0.00903611 -0.02709149 0.00000000 41 0.00000000 0.00000000 -0.02709149 -0.00903611 0.00000000 42 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 43 0.00000000 0.00000000 -0.04514582 0.13535336 0.00000000 44 0.00000000 0.00000000 0.13535336 0.04514582 0.00000000 45 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 46 0.00000000 0.00000000 -0.00257007 0.00770542 0.00000000 47 0.00000000 0.00000000 0.00770542 0.00257007 0.00000000 48 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 49 0.00273603 0.86555974 0.00000000 0.00000000 -0.00151483 50 -0.99946230 0.00315929 0.00000000 0.00000000 -0.70648602 51 0.00000000 0.00000000 0.28212723 -0.84585615 0.00000000 52 -0.00273603 -0.86555974 0.00000000 0.00000000 0.00151483 53 0.00000000 0.00000000 -0.84585615 -0.28212723 0.00000000 54 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 55 -0.00130181 -0.41183562 0.00000000 0.00000000 0.00078476 56 0.47554681 -0.00150320 0.00000000 0.00000000 0.36599470 57 0.00000000 0.00000000 -0.12769434 0.38284516 0.00000000 58 0.00130181 0.41183562 0.00000000 0.00000000 -0.00078476 59 0.00000000 0.00000000 0.38284516 0.12769434 0.00000000 60 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 61 0.00000000 0.00000000 0.03154604 -0.09457936 0.00000000 62 0.00000000 0.00000000 -0.04229718 -0.01410782 0.00000000 63 -0.00006105 -0.01931333 0.00000000 0.00000000 -0.00008295 64 0.00000000 0.00000000 0.01410782 -0.04229718 0.00000000 65 0.02230111 -0.00007049 0.00000000 0.00000000 -0.03868549 66 0.00000000 0.00000000 -0.00438228 0.01313867 0.00000000 67 0.00000000 0.00000000 -0.09457936 -0.03154604 0.00000000 68 0.00006105 0.01931333 0.00000000 0.00000000 0.00008295 69 0.00000000 0.00000000 0.01313867 0.00438228 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 0.74796995 4.54402856 2 0.00000000 0.00000000 0.00000000 -0.23130099 -0.65812651 3 0.00000000 0.00000000 0.00000000 -0.56334493 -4.23821712 4 0.00000000 0.00000000 0.00000000 -0.22254769 -1.11090822 5 0.00000000 0.02429146 0.00498495 0.00000000 0.00000000 6 0.00000000 0.00498495 -0.02429146 0.00000000 0.00000000 7 0.00000000 0.00000000 0.00000000 -0.31181355 0.80873440 8 0.00000000 -0.11935250 -0.02449281 0.00000000 0.00000000 9 0.00000000 -0.02449281 0.11935250 0.00000000 0.00000000 10 0.00000000 0.00000000 0.00000000 1.69838774 -2.73792963 11 0.00000000 0.16735185 0.03434295 0.00000000 0.00000000 12 0.00000000 0.03434295 -0.16735185 0.00000000 0.00000000 13 0.00000000 0.00000000 0.00000000 -0.20687207 -0.71858602 14 -0.87349998 0.00000000 0.00000000 -0.40401618 -0.57772504 15 0.00249726 0.00000000 0.00000000 0.00000000 0.00000000 16 0.00000000 -0.91402602 -0.18757098 0.00000000 0.00000000 17 0.87349998 0.00000000 0.00000000 -0.40401618 -0.57772504 18 0.00000000 -0.18757098 0.91402602 0.00000000 0.00000000 19 0.00000000 0.00000000 0.00000000 0.88239316 0.72114313 20 0.43820765 0.00000000 0.00000000 0.33762239 0.83469346 21 -0.00125280 0.00000000 0.00000000 0.00000000 0.00000000 22 0.00000000 0.60314233 0.12377328 0.00000000 0.00000000 23 -0.43820765 0.00000000 0.00000000 0.33762239 0.83469346 24 0.00000000 0.12377328 -0.60314233 0.00000000 0.00000000 25 0.00000000 0.00000000 0.00000000 -0.31569729 -0.80974172 26 0.00000000 -0.08382509 -0.01720209 0.00000000 0.00000000 27 0.00000000 -0.00769301 0.03748772 0.00000000 0.00000000 28 0.02523724 0.00000000 0.00000000 -0.34857901 0.84088307 29 0.00000000 -0.03748772 -0.00769301 0.00000000 0.00000000 30 -0.00007215 0.00000000 0.00000000 0.00000000 0.00000000 31 0.00000000 0.20682641 0.04244369 0.00000000 0.00000000 32 0.00000000 -0.01720209 0.08382509 0.00000000 0.00000000 33 -0.02523724 0.00000000 0.00000000 -0.34857901 0.84088307 34 0.00000000 0.04244369 -0.20682641 0.00000000 0.00000000 35 0.00000000 0.00000000 0.00000000 -0.84818922 0.91695333 36 0.00000000 0.00000000 0.00000000 0.91430397 -5.16686471 37 0.00000000 0.00000000 0.00000000 -0.25313062 0.79283999 38 0.00000000 0.00000000 0.00000000 -0.72868055 4.65413435 39 0.00000000 0.00000000 0.00000000 -0.26354298 1.27547876 40 0.00000000 -0.02109481 -0.00432895 0.00000000 0.00000000 41 0.00000000 -0.00432895 0.02109481 0.00000000 0.00000000 42 0.00000000 0.00000000 0.00000000 0.26592124 0.84377668 43 0.00000000 0.10443256 0.02143103 0.00000000 0.00000000 44 0.00000000 0.02143103 -0.10443256 0.00000000 0.00000000 45 0.00000000 0.00000000 0.00000000 -1.57047096 -2.95249185 46 0.00000000 -0.16832506 -0.03454267 0.00000000 0.00000000 47 0.00000000 -0.03454267 0.16832506 0.00000000 0.00000000 48 0.00000000 0.00000000 0.00000000 0.24210436 -0.69800131 49 0.61183484 0.00000000 0.00000000 -0.42414886 0.59000807 50 -0.00174918 0.00000000 0.00000000 0.00000000 0.00000000 51 0.00000000 -0.84106078 -0.17259749 0.00000000 0.00000000 52 -0.61183484 0.00000000 0.00000000 -0.42414886 0.59000807 53 0.00000000 -0.17259749 0.84106078 0.00000000 0.00000000 54 0.00000000 0.00000000 0.00000000 0.91092855 -0.66124119 55 -0.31696071 0.00000000 0.00000000 0.37269984 -0.86884002 56 0.00090616 0.00000000 0.00000000 0.00000000 0.00000000 57 0.00000000 0.57232275 0.11744867 0.00000000 0.00000000 58 0.31696071 0.00000000 0.00000000 0.37269984 -0.86884002 59 0.00000000 0.11744867 -0.57232275 0.00000000 0.00000000 60 0.00000000 0.00000000 0.00000000 -0.36292731 0.75375936 61 0.00000000 0.09331476 0.01914950 0.00000000 0.00000000 62 0.00000000 0.00856392 -0.04173163 0.00000000 0.00000000 63 0.03350262 0.00000000 0.00000000 0.30586469 0.89312084 64 0.00000000 0.04173163 0.00856392 0.00000000 0.00000000 65 -0.00009578 0.00000000 0.00000000 0.00000000 0.00000000 66 0.00000000 -0.20650264 -0.04237724 0.00000000 0.00000000 67 0.00000000 0.01914950 -0.09331476 0.00000000 0.00000000 68 -0.03350262 0.00000000 0.00000000 0.30586469 0.89312084 69 0.00000000 -0.04237724 0.20650264 0.00000000 0.00000000 70 0.00000000 0.00000000 0.00000000 0.82087307 1.03206679 61 62 63 64 65 1 -9.05327853 0.00000000 0.00000000 0.00000000 0.00000000 2 1.95709005 0.00000000 0.00000000 0.00000000 0.00000000 3 6.07150089 0.00000000 0.00000000 0.00000000 0.00000000 4 2.42527606 0.00000000 0.00000000 0.00000000 0.00000000 5 0.00000000 -0.30724529 -0.01474209 -1.34666393 0.30547049 6 0.00000000 0.01474209 -0.30724529 -0.30547049 -1.34666393 7 -0.45728792 0.00000000 0.00000000 0.00000000 0.00000000 8 0.00000000 2.32462697 0.11153908 8.69891923 -1.97321920 9 0.00000000 -0.11153908 2.32462697 1.97321920 8.69891923 10 2.72647419 0.00000000 0.00000000 0.00000000 0.00000000 11 0.00000000 -0.12423297 -0.00596088 -0.67666068 0.15349031 12 0.00000000 0.00596088 -0.12423297 -0.15349031 -0.67666068 13 -0.15098303 0.00000000 0.00000000 0.00000000 0.00000000 14 0.43063928 0.00000000 0.00000000 0.00000000 0.00000000 15 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 16 0.00000000 -0.01030455 -0.00049443 -0.00110916 0.00025160 17 0.43063928 0.00000000 0.00000000 0.00000000 0.00000000 18 0.00000000 0.00049443 -0.01030455 -0.00025160 -0.00110916 19 0.26233687 0.00000000 0.00000000 0.00000000 0.00000000 20 -0.65343597 0.00000000 0.00000000 0.00000000 0.00000000 21 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 22 0.00000000 -0.00679187 -0.00032588 0.00535754 -0.00121528 23 -0.65343597 0.00000000 0.00000000 0.00000000 0.00000000 24 0.00000000 0.00032588 -0.00679187 0.00121528 0.00535754 25 -0.47733131 0.00000000 0.00000000 0.00000000 0.00000000 26 0.00000000 -1.31554876 -0.06312200 -4.86204748 1.10288246 27 0.00000000 0.02822901 -0.58833129 -0.49322403 -2.17437373 28 -0.72979151 0.00000000 0.00000000 0.00000000 0.00000000 29 0.00000000 -0.58833129 -0.02822901 -2.17437373 0.49322403 30 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 31 0.00000000 -0.64518142 -0.03095677 -2.14476418 0.48650755 32 0.00000000 0.06312200 -1.31554876 -1.10288246 -4.86204748 33 -0.72979151 0.00000000 0.00000000 0.00000000 0.00000000 34 0.00000000 0.03095677 -0.64518142 -0.48650755 -2.14476418 35 -1.43928750 0.00000000 0.00000000 0.00000000 0.00000000 36 -9.61323450 0.00000000 0.00000000 0.00000000 0.00000000 37 2.11637812 0.00000000 0.00000000 0.00000000 0.00000000 38 6.33178262 0.00000000 0.00000000 0.00000000 0.00000000 39 2.55871399 0.00000000 0.00000000 0.00000000 0.00000000 40 0.00000000 -1.33328237 -0.06397288 0.50337863 -0.11418388 41 0.00000000 0.06397288 -1.33328237 0.11418388 0.50337863 42 0.39851315 0.00000000 0.00000000 0.00000000 0.00000000 43 0.00000000 8.74563331 0.41962856 -2.96258576 0.67201809 44 0.00000000 -0.41962856 8.74563331 -0.67201809 -2.96258576 45 -2.74100965 0.00000000 0.00000000 0.00000000 0.00000000 46 0.00000000 -0.64968873 -0.03117304 0.27621977 -0.06265631 47 0.00000000 0.03117304 -0.64968873 0.06265631 0.27621977 48 0.27038239 0.00000000 0.00000000 0.00000000 0.00000000 49 0.41081196 0.00000000 0.00000000 0.00000000 0.00000000 50 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 51 0.00000000 0.00667752 0.00032040 0.00715305 -0.00162256 52 0.41081196 0.00000000 0.00000000 0.00000000 0.00000000 53 0.00000000 -0.00032040 0.00667752 0.00162256 0.00715305 54 0.39449245 0.00000000 0.00000000 0.00000000 0.00000000 55 -0.63408690 0.00000000 0.00000000 0.00000000 0.00000000 56 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 57 0.00000000 -0.00083007 -0.00003983 0.00868254 -0.00196950 58 -0.63408690 0.00000000 0.00000000 0.00000000 0.00000000 59 0.00000000 0.00003983 -0.00083007 0.00196950 0.00868254 60 -0.67296231 0.00000000 0.00000000 0.00000000 0.00000000 61 0.00000000 -4.89452194 -0.23484648 1.64183067 -0.37242463 62 0.00000000 0.10502654 -2.18889675 0.16655336 0.73424900 63 0.70912012 0.00000000 0.00000000 0.00000000 0.00000000 64 0.00000000 -2.18889675 -0.10502654 0.73424900 -0.16655336 65 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 66 0.00000000 -2.19492767 -0.10531591 0.67251184 -0.15254921 67 0.00000000 0.23484648 -4.89452194 0.37242463 1.64183067 68 0.70912012 0.00000000 0.00000000 0.00000000 0.00000000 69 0.00000000 0.10531591 -2.19492767 0.15254921 0.67251184 70 1.54471690 0.00000000 0.00000000 0.00000000 0.00000000 66 67 68 69 70 1 0.84730055 -2.42396366 -9.50679960 54.37181301 -56.20032323 2 -0.29470678 0.45177522 2.09403727 -26.32286898 27.09549766 3 -0.45219843 1.52111899 5.91871942 -31.88334392 33.54941646 4 -0.02308724 0.71040331 2.48431798 -15.39355291 15.60019198 5 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 6 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 7 1.40660152 1.03818286 1.12256768 -0.09416366 0.51568163 8 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 9 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 10 -7.56741977 -6.69347846 -4.05574794 0.40139966 -1.77474638 11 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 12 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 13 0.75426621 0.58931606 -0.12013751 0.00677022 0.20775649 14 0.05441214 0.08778268 0.28201243 3.52144073 -3.61015494 15 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 16 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 17 0.05441214 0.08778268 0.28201243 3.52144073 -3.61015494 18 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 19 -0.04572149 0.23109273 0.92868464 3.47102514 -3.56313405 20 0.04208245 -0.13847152 -0.36687690 3.28111023 -3.42225621 21 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 22 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 23 0.04208245 -0.13847152 -0.36687690 3.28111023 -3.42225621 24 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 25 -0.11297404 -0.03880766 -1.47002968 3.21153583 -3.74991817 26 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 27 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 28 1.84331057 1.65738462 1.10492329 -0.09033808 0.42135603 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 1.84331057 1.65738462 1.10492329 -0.09033808 0.42135603 34 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 35 3.89390443 3.81542237 1.55707541 -0.25556829 0.66041110 36 0.67374192 -5.06903094 7.36843430 55.34597237 55.23778928 37 -0.02292351 1.07008739 -1.64954003 -26.79314638 -26.63014412 38 -0.51849138 3.13943261 -4.55872622 -32.46562080 -32.98547951 39 -0.39018848 1.34903984 -1.90251491 -15.66379903 -15.32763484 40 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 41 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 42 1.63582044 -1.00446882 0.84765046 0.10325321 0.51407416 43 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 44 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 45 -8.92292662 5.78739223 -2.38641600 -0.43268520 -1.76791714 46 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 47 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 48 0.85456055 -0.33907846 -0.24270413 -0.00306501 0.20789548 49 -0.10693879 0.14166100 -0.20387877 3.58419758 3.54802899 50 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 51 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 52 -0.10693879 0.14166100 -0.20387877 3.58419758 3.54802899 53 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 54 -0.07179921 0.49871520 -0.77244414 3.53302687 3.50189595 55 0.04284688 -0.23211919 0.24882262 3.34076377 3.36447014 56 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 57 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 58 0.04284688 -0.23211919 0.24882262 3.34076377 3.36447014 59 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 60 0.21282646 -0.45144690 1.33564550 3.27686291 3.69327782 61 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 62 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 63 2.18062618 -1.47190353 0.68829943 0.09774661 0.41979710 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 2.18062618 -1.47190353 0.68829943 0.09774661 0.41979710 69 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 70 4.65160127 -3.15406536 0.62186670 0.26725816 0.65608638 --------------------------------------- UHF spin-up orbital energies --------------------------------------- 1 1 -0.49595083 2 0.06488865 3 0.24447137 4 0.34865606 5 0.43366778 6 0.43366778 7 0.56918231 8 0.63683422 9 0.63683422 10 0.91406421 11 1.15674679 12 1.24213640 13 1.64256660 14 1.78118789 15 1.78118789 16 1.91073255 17 1.91073255 18 1.94290182 19 1.94290182 20 2.00176238 21 2.00176238 22 2.18261643 23 2.18261643 24 2.20308645 25 2.41054771 26 2.59416663 27 2.59416663 28 3.04494584 29 3.11776495 30 3.45385235 31 4.39847858 32 4.39847858 33 4.53486663 34 4.53486663 35 4.64078982 36 4.77631037 37 5.79518657 38 5.79518657 39 5.86443145 40 5.95971571 41 5.95971571 42 6.05108279 43 6.05108279 44 6.08606419 45 6.08606419 46 6.18553010 47 6.18553010 48 6.58901404 49 6.58901404 50 7.41603514 51 8.09036043 52 8.09036043 53 8.11274633 54 8.11274633 55 8.20232172 56 8.20232172 57 8.52844497 58 8.52844497 59 8.54380839 60 9.23575473 61 9.62762185 62 9.71142514 63 9.71142514 64 9.75677787 65 9.75677787 66 9.83779518 67 9.97200691 68 10.03547377 69 22.70965415 70 23.30142718 --------------------------------------- UHF spin-down orbital energies --------------------------------------- 1 1 -0.49595083 2 0.06488865 3 0.24447137 4 0.34865606 5 0.43366778 6 0.43366778 7 0.56918231 8 0.63683422 9 0.63683422 10 0.91406421 11 1.15674679 12 1.24213640 13 1.64256660 14 1.78118789 15 1.78118789 16 1.91073255 17 1.91073255 18 1.94290182 19 1.94290182 20 2.00176238 21 2.00176238 22 2.18261643 23 2.18261643 24 2.20308645 25 2.41054771 26 2.59416663 27 2.59416663 28 3.04494584 29 3.11776495 30 3.45385235 31 4.39847858 32 4.39847858 33 4.53486663 34 4.53486663 35 4.64078982 36 4.77631037 37 5.79518657 38 5.79518657 39 5.86443145 40 5.95971571 41 5.95971571 42 6.05108279 43 6.05108279 44 6.08606419 45 6.08606419 46 6.18553010 47 6.18553010 48 6.58901404 49 6.58901404 50 7.41603514 51 8.09036043 52 8.09036043 53 8.11274633 54 8.11274633 55 8.20232172 56 8.20232172 57 8.52844497 58 8.52844497 59 8.54380839 60 9.23575473 61 9.62762185 62 9.71142514 63 9.71142514 64 9.75677787 65 9.75677787 66 9.83779518 67 9.97200691 68 10.03547377 69 22.70965415 70 23.30142718 Total CPU time for UHF = 3.358 seconds AO to MO transformation... Please be patient Total CPU time for AO to MO transformation = 15.903 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 | 0.567896 | 15.453236 | | 2 | 0.606422 | 16.501579 | | 3 | 0.759002 | 20.653509 | | 4 | 0.793254 | 21.585540 | | 5 | 0.850163 | 23.134113 | | 6 | 0.892430 | 24.284244 | | 7 | 0.944573 | 25.703132 | | 8 | 0.944573 | 25.703132 | | 9 | 1.004400 | 27.331129 | | 10 | 1.004400 | 27.331129 | | 11 | 1.086052 | 29.552970 | | 12 | 1.126942 | 30.665655 | | 13 | 1.147011 | 31.211750 | | 14 | 1.147011 | 31.211750 | | 15 | 1.167798 | 31.777400 | | 16 | 1.167798 | 31.777400 | | 17 | 1.424925 | 38.774179 | | 18 | 1.444393 | 39.303927 | | 19 | 1.690907 | 46.011912 | | 20 | 1.728594 | 47.037434 | ------------------------------------------------------------- *** 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| -13.495510 -13.495510| 0.118480 0.118480| 0.948861 0.948861| -13.383089 -13.383089| | 2| 1.765710 1.765710| -0.900411 -0.900411| 0.972983 0.972983| 0.889626 0.889626| | 3| 6.652405 6.652405| -0.249421 -0.249421| 0.990284 0.990284| 6.405407 6.405407| | 4| 9.487415 9.487415| -1.055527 -1.055527| 0.962941 0.962941| 8.471004 8.471004| | 5| 11.800701 11.800701| -0.577150 -0.577150| 0.980430 0.980430| 11.234847 11.234847| | 6| 11.800701 11.800701| -0.577150 -0.577150| 0.980430 0.980430| 11.234847 11.234847| | 7| 15.488240 15.488240| -1.109737 -1.109737| 0.864971 0.864971| 14.528349 14.528349| | 8| 17.329142 17.329142| -0.786916 -0.786916| 0.961719 0.961719| 16.572349 16.572349| | 9| 17.329142 17.329142| -0.786916 -0.786916| 0.961719 0.961719| 16.572349 16.572349| | 10| 24.872954 24.872954| -1.031536 -1.031536| 0.723661 0.723661| 24.126472 24.126472| | 11| 31.476683 31.476683| -0.605306 -0.605306| 0.448051 0.448051| 31.205476 31.205476| | 12| 33.800253 33.800253| 0.682019 0.682019| 0.172347 0.172347| 33.917797 33.917797| | 13| 44.696514 44.696514| -1.234863 -1.234863| 0.638067 0.638067| 43.908589 43.908589| | 14| 48.468591 48.468591| -1.027414 -1.027414| 0.867877 0.867877| 47.576922 47.576922| | 15| 48.468591 48.468591| -1.027414 -1.027414| 0.867877 0.867877| 47.576922 47.576922| | 16| 51.993681 51.993681| -0.945061 -0.945061| 0.432943 0.432943| 51.584523 51.584523| | 17| 51.993681 51.993681| -0.945061 -0.945061| 0.432943 0.432943| 51.584523 51.584523| | 18| 52.869051 52.869051| -1.006320 -1.006320| 0.764108 0.764108| 52.100115 52.100115| | 19| 52.869051 52.869051| -1.006320 -1.006320| 0.764108 0.764108| 52.100115 52.100115| | 20| 54.470729 54.470729| -0.644062 -0.644062| 0.915974 0.915974| 53.880785 53.880785| | 21| 54.470729 54.470729| -0.644062 -0.644062| 0.915974 0.915974| 53.880785 53.880785| | 22| 59.392018 59.392018| -1.090937 -1.090937| 0.919653 0.919653| 58.388735 58.388735| | 23| 59.392018 59.392018| -1.090937 -1.090937| 0.919653 0.919653| 58.388735 58.388735| | 24| 59.949036 59.949036| -3.362534 -3.362534| 0.380162 0.380162| 58.670727 58.670727| | 25| 65.594344 65.594344| -1.572615 -1.572615| 0.527335 0.527335| 64.765049 64.765049| | 26| 70.590870 70.590870| 0.181880 0.181880| 0.301716 0.301716| 70.645746 70.645746| | 27| 70.590870 70.590870| 0.181880 0.181880| 0.301716 0.301716| 70.645746 70.645746| | 28| 82.857197 82.857197| -1.330237 -1.330237| 0.184813 0.184813| 82.611351 82.611351| | 29| 84.838706 84.838706| 3.944897 3.944897| 0.073281 0.073281| 85.127793 85.127793| | 30| 93.984110 93.984110| -1.195811 -1.195811| 0.287076 0.287076| 93.640821 93.640821| | 31| 119.688699 119.688699| -0.891174 -0.891174| 0.788952 0.788952| 118.985605 118.985605| | 32| 119.688699 119.688699| -0.891174 -0.891174| 0.788952 0.788952| 118.985605 118.985605| | 33| 123.400006 123.400006| -1.022465 -1.022465| 0.380273 0.380273| 123.011190 123.011190| | 34| 123.400006 123.400006| -1.022465 -1.022465| 0.380273 0.380273| 123.011190 123.011190| | 35| 126.282323 126.282323| -0.569874 -0.569874| 0.709259 0.709259| 125.878135 125.878135| | 36| 129.970025 129.970025| -1.165828 -1.165828| 0.841514 0.841514| 128.988965 128.988965| | 37| 157.695059 157.695059| -0.515134 -0.515134| 0.754217 0.754217| 157.306535 157.306535| | 38| 157.695059 157.695059| -0.515134 -0.515134| 0.754217 0.754217| 157.306535 157.306535| | 39| 159.579308 159.579308| -0.669352 -0.669352| 0.173422 0.173422| 159.463227 159.463227| | 40| 162.172125 162.172125| -1.418266 -1.418266| 0.342470 0.342470| 161.686412 161.686412| | 41| 162.172125 162.172125| -1.418266 -1.418266| 0.342470 0.342470| 161.686412 161.686412| | 42| 164.658350 164.658350| -1.223388 -1.223388| 0.938792 0.938792| 163.509842 163.509842| | 43| 164.658350 164.658350| -1.223388 -1.223388| 0.938792 0.938792| 163.509842 163.509842| | 44| 165.610242 165.610242| -1.278439 -1.278439| 0.935178 0.935178| 164.414675 164.414675| | 45| 165.610242 165.610242| -1.278439 -1.278439| 0.935178 0.935178| 164.414675 164.414675| | 46| 168.316847 168.316847| -1.415583 -1.415583| 0.834399 0.834399| 167.135686 167.135686| | 47| 168.316847 168.316847| -1.415583 -1.415583| 0.834399 0.834399| 167.135686 167.135686| | 48| 179.296205 179.296205| -1.669974 -1.669974| 0.349787 0.349787| 178.712070 178.712070| | 49| 179.296205 179.296205| -1.669974 -1.669974| 0.349787 0.349787| 178.712070 178.712070| | 50| 201.800595 201.800595| -0.905187 -0.905187| 0.476955 0.476955| 201.368861 201.368861| | 51| 220.149921 220.149921| -2.757809 -2.757809| 0.759617 0.759617| 218.055043 218.055043| | 52| 220.149921 220.149921| -2.757809 -2.757809| 0.759617 0.759617| 218.055043 218.055043| | 53| 220.759072 220.759072| -1.887451 -1.887451| 0.614307 0.614307| 219.599597 219.599597| | 54| 220.759072 220.759072| -1.887451 -1.887451| 0.614307 0.614307| 219.599597 219.599597| | 55| 223.196543 223.196543| -3.006950 -3.006950| 0.785575 0.785575| 220.834359 220.834359| | 56| 223.196543 223.196543| -3.006950 -3.006950| 0.785575 0.785575| 220.834359 220.834359| | 57| 232.070808 232.070808| -2.388096 -2.388096| 0.058254 0.058254| 231.931692 231.931692| | 58| 232.070808 232.070808| -2.388096 -2.388096| 0.058254 0.058254| 231.931692 231.931692| | 59| 232.488868 232.488868| -1.461522 -1.461522| 0.665401 0.665401| 231.516370 231.516370| | 60| 251.317687 251.317687| -2.276848 -2.276848| 0.391190 0.391190| 250.427008 250.427008| | 61| 261.980935 261.980935| -3.248948 -3.248948| 0.673369 0.673369| 259.793194 259.793194| | 62| 264.261338 264.261338| -2.229490 -2.229490| 0.680649 0.680649| 262.743838 262.743838| | 63| 264.261338 264.261338| -2.229490 -2.229490| 0.680649 0.680649| 262.743838 262.743838| | 64| 265.495449 265.495449| -2.452383 -2.452383| 0.644571 0.644571| 263.914713 263.914713| | 65| 265.495449 265.495449| -2.452383 -2.452383| 0.644571 0.644571| 263.914713 263.914713| | 66| 267.700042 267.700042| -2.242621 -2.242621| 0.697955 0.697955| 266.134795 266.134795| | 67| 271.352129 271.352129| -2.478002 -2.478002| 0.611437 0.611437| 269.836988 269.836988| | 68| 273.079151 273.079151| -3.432793 -3.432793| 0.259465 0.259465| 272.188461 272.188461| | 69| 617.961165 617.961165| -1.107589 -1.107589| 0.965319 0.965319| 616.891990 616.891990| | 70| 634.064130 634.064130| -11.208025 -11.208025| 0.043874 0.043874| 633.572392 633.572392| -------------------------------------------------------------------------------------------------------------------------------- UG0W0 HOMO energy: -13.383089 eV UG0W0 LUMO energy: 0.889626 eV UG0W0 HOMO-LUMO gap : 14.272715 eV -------------------------------------------------------------------------------------------------------------------------------- RPA@UG0W0 total energy : -1.049211 au RPA@UG0W0 correlation energy: -0.035371 au GM@UG0W0 total energy : -1.080031 au GM@UG0W0 correlation energy: -0.066190 au -------------------------------------------------------------------------------------------------------------------------------- ------------------------------------------------------------- BSE@UGW calculation: spin-conserved manifold ------------------------------------------------------------- | State | Excitation energy (au) | Excitation energy (eV) | ------------------------------------------------------------- | 1 | 0.230830 | 6.281216 | | 2 | 0.293486 | 7.986153 | | 3 | 0.457129 | 12.439117 | | 4 | 0.491171 | 13.365442 | | 5 | 0.549781 | 14.960315 | | 6 | 0.549781 | 14.960315 | | 7 | 0.556414 | 15.140796 | | 8 | 0.579969 | 15.781756 | | 9 | 0.617239 | 16.795934 | | 10 | 0.617239 | 16.795934 | | 11 | 0.690018 | 18.776355 | | 12 | 0.735921 | 20.025433 | | 13 | 0.795498 | 21.646609 | | 14 | 0.795498 | 21.646609 | | 15 | 0.818894 | 22.283252 | | 16 | 0.818894 | 22.283252 | | 17 | 1.071736 | 29.163414 | | 18 | 1.092928 | 29.740099 | | 19 | 1.281645 | 34.875341 | | 20 | 1.301375 | 35.412212 | ------------------------------------------------------------- --------------------------------------------------------------- Transition dipole moment (au) --------------------------------------------------------------- # X Y Z dip. str. osc. str. --------------------------------------------------------------- 1 -0.000000 0.000000 -0.000000 0.000000 0.000000 2 -0.000000 -0.000000 -1.384482 1.916791 0.375034 3 0.000000 0.000000 0.332174 0.110340 0.033626 4 -0.000000 -0.000000 0.000000 0.000000 0.000000 5 0.000000 -0.000000 -0.000000 0.000000 0.000000 6 -0.000000 -0.000000 0.000000 0.000000 0.000000 7 0.000000 0.000000 0.000000 0.000000 0.000000 8 -0.000000 -0.000000 -0.206724 0.042735 0.016523 9 1.333620 -0.052899 -0.000000 1.781339 0.733008 10 0.052899 1.333620 -0.000000 1.781339 0.733008 11 -0.000000 -0.000000 -0.652759 0.426094 0.196009 12 -0.000000 0.000000 -0.000000 0.000000 0.000000 13 -0.203198 0.082812 -0.000000 0.048147 0.025534 14 -0.082812 -0.203198 0.000000 0.048147 0.025534 15 0.000000 -0.000000 -0.000000 0.000000 0.000000 16 0.000000 0.000000 0.000000 0.000000 0.000000 17 0.000000 0.000000 -0.000000 0.000000 0.000000 18 -0.000000 0.000000 0.169093 0.028592 0.020833 19 -0.000000 0.000000 0.065357 0.004272 0.003650 20 0.000000 -0.000000 0.000000 0.000000 0.000000 --------------------------------------------------------------- ------------------------------------------------------------- Excitation n. 1: 6.281216 eV f = 0.0000 = 0.5753 ------------------------------------------------------------- 1A -> 2A = 0.687337 1A -> 4A = 0.161359 1B -> 2B = 0.687337 1B -> 4B = 0.161359 ------------------------------------------------------------- Excitation n. 2: 7.986153 eV f = 0.3750 = 0.0953 ------------------------------------------------------------- 1A -> 2A = -0.693058 1A -> 3A = -0.107936 1B -> 2B = 0.693058 1B -> 3B = 0.107936 ------------------------------------------------------------- Excitation n. 3: 12.439117 eV f = 0.0336 = 1.4101 ------------------------------------------------------------- 1A -> 2A = -0.121225 1A -> 3A = 0.686997 1B -> 2B = 0.121225 1B -> 3B = -0.686997 ------------------------------------------------------------- Excitation n. 4: 13.365442 eV f = 0.0000 = 0.9528 ------------------------------------------------------------- 1A -> 3A = -0.686061 1A -> 4A = 0.155760 1B -> 3B = -0.686061 1B -> 4B = 0.155760 ------------------------------------------------------------- Excitation n. 5: 14.960315 eV f = 0.0000 = 1.4578 ------------------------------------------------------------- 1A -> 5A = -0.668428 1A -> 6A = 0.215556 1B -> 5B = -0.596933 1B -> 6B = 0.370044 ------------------------------------------------------------- Excitation n. 6: 14.960315 eV f = 0.0000 = 1.4578 ------------------------------------------------------------- 1A -> 5A = -0.215556 1A -> 6A = -0.668428 1B -> 5B = 0.370044 1B -> 6B = 0.596933 ------------------------------------------------------------- Excitation n. 7: 15.140796 eV f = 0.0000 = 1.0155 ------------------------------------------------------------- 1A -> 2A = 0.153222 1A -> 3A = -0.167149 1A -> 4A = -0.667896 1B -> 2B = 0.153222 1B -> 3B = -0.167149 1B -> 4B = -0.667896 ------------------------------------------------------------- Excitation n. 8: 15.781756 eV f = 0.0165 = 0.5372 ------------------------------------------------------------- 1A -> 3A = 0.102719 1A -> 4A = -0.694542 1B -> 3B = -0.102719 1B -> 4B = 0.694542 ------------------------------------------------------------- Excitation n. 9: 16.795934 eV f = 0.7330 = 0.5726 ------------------------------------------------------------- 1A -> 5A = -0.254824 1A -> 6A = 0.649316 1A -> 8A = 0.115087 1B -> 5B = 0.659908 1B -> 6B = 0.225985 1B -> 8B = 0.115066 ------------------------------------------------------------- Excitation n. 10: 16.795934 eV f = 0.7330 = 0.5726 ------------------------------------------------------------- 1A -> 5A = 0.649316 1A -> 6A = 0.254824 1A -> 9A = 0.115087 1B -> 5B = -0.225985 1B -> 6B = 0.659908 1B -> 9B = -0.115066 ------------------------------------------------------------- Excitation n. 11: 18.776355 eV f = 0.1960 = 1.4619 ------------------------------------------------------------- 1A -> 7A = 0.697003 1B -> 7B = -0.697003 ------------------------------------------------------------- Excitation n. 12: 20.025433 eV f = 0.0000 = 0.5041 ------------------------------------------------------------- 1A -> 7A = -0.702468 1B -> 7B = -0.702468 ------------------------------------------------------------- Excitation n. 13: 21.646609 eV f = 0.0255 = 1.4263 ------------------------------------------------------------- 1A -> 8A = -0.636385 1A -> 9A = 0.284069 1B -> 5B = 0.115594 1B -> 8B = -0.671209 1B -> 9B = -0.187509 ------------------------------------------------------------- Excitation n. 14: 21.646609 eV f = 0.0255 = 1.4263 ------------------------------------------------------------- 1A -> 8A = -0.284069 1A -> 9A = -0.636385 1B -> 6B = 0.115594 1B -> 8B = -0.187509 1B -> 9B = 0.671209 ------------------------------------------------------------- Excitation n. 15: 22.283252 eV f = 0.0000 = 0.5429 ------------------------------------------------------------- 1A -> 8A = -0.587992 1A -> 9A = 0.384631 1B -> 8B = 0.638112 1B -> 9B = 0.294088 ------------------------------------------------------------- Excitation n. 16: 22.283252 eV f = 0.0000 = 0.5429 ------------------------------------------------------------- 1A -> 8A = -0.384631 1A -> 9A = -0.587992 1B -> 8B = 0.294088 1B -> 9B = -0.638112 ------------------------------------------------------------- Excitation n. 17: 29.163414 eV f = 0.0000 = 1.4858 ------------------------------------------------------------- 1A -> 10A = 0.699942 1B -> 10B = -0.699942 ------------------------------------------------------------- Excitation n. 18: 29.740099 eV f = 0.0208 = 0.5163 ------------------------------------------------------------- 1A -> 10A = -0.701648 1B -> 10B = -0.701648 ------------------------------------------------------------- Excitation n. 19: 34.875341 eV f = 0.0036 = 1.2543 ------------------------------------------------------------- 1A -> 11A = -0.703908 1B -> 11B = -0.703908 ------------------------------------------------------------- Excitation n. 20: 35.412212 eV f = 0.0000 = 0.9546 ------------------------------------------------------------- 1A -> 11A = -0.689533 1A -> 12A = 0.148289 1B -> 11B = 0.689533 1B -> 12B = -0.148289 Thomas-Reiche-Kuhn sum rule = 2.162760 ------------------------------------------------------------------------------- Tr@BSE@UG0W0 correlation energy (spin-conserved) = -0.0000000000 Tr@BSE@UG0W0 correlation energy (spin-flip) = 0.0000000000 Tr@BSE@UG0W0 correlation energy = -0.0000000000 Tr@BSE@UG0W0 total energy = -1.0138403891 ------------------------------------------------------------------------------- Total CPU time for G0W0 = 0.539 seconds Total CPU time for QuAcK = 21.007 seconds