210 significant shell pairs computed in 0.000104 seconds 0 Computed Electron repulsion integrals Integrals in parallel in 3.635003 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 3.2125344133 ------------------ Nuclear repulsion energy = 0.3112807122 ------------------ 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 = 1.172 seconds Lowdin orthogonalization ************************************************ * Unrestricted Hartree-Fock calculation * ************************************************ ---------------------------------------------------------- | # | E(UHF) | Ex(UHF) | Conv | ---------------------------------------------------------- | 1 | -0.9416685198 | -0.5202263872 | 1.000000 | | 2 | -0.9741350611 | -0.4752655828 | 0.024051 | | 3 | -0.9794421019 | -0.4722750540 | 0.023347 | | 4 | -0.9848543943 | -0.4824008821 | 0.026682 | | 5 | -0.9914347255 | -0.4989940004 | 0.028150 | | 6 | -0.9981828944 | -0.5189719321 | 0.026777 | | 7 | -1.0037975409 | -0.5391109825 | 0.022832 | | 8 | -1.0076027001 | -0.5566406764 | 0.017652 | | 9 | -1.0097669661 | -0.5702386290 | 0.012643 | | 10 | -1.0108435513 | -0.5799552296 | 0.008579 | | 11 | -1.0113307774 | -0.5865299862 | 0.005617 | | 12 | -1.0115377675 | -0.5908266856 | 0.003595 | | 13 | -1.0116221764 | -0.5935740538 | 0.002268 | | 14 | -1.0116557143 | -0.5953070509 | 0.001419 | | 15 | -1.0116688241 | -0.5963910043 | 0.000883 | | 16 | -1.0116738968 | -0.5970654467 | 0.000547 | | 17 | -1.0116758472 | -0.5974837248 | 0.000339 | | 18 | -1.0116765942 | -0.5977426108 | 0.000209 | | 19 | -1.0116768796 | -0.5979026434 | 0.000129 | | 20 | -1.0116769885 | -0.5980014925 | 0.000080 | | 21 | -1.0116770300 | -0.5980625205 | 0.000049 | | 22 | -1.0116770458 | -0.5981001871 | 0.000030 | | 23 | -1.0116770518 | -0.5981234308 | 0.000019 | | 24 | -1.0116770541 | -0.5981377726 | 0.000012 | | 25 | -1.0116770550 | -0.5981466212 | 0.000007 | | 26 | -1.0116770553 | -0.5981520803 | 0.000004 | | 27 | -1.0116770554 | -0.5981554483 | 0.000003 | | 28 | -1.0116770555 | -0.5981575261 | 0.000002 | | 29 | -1.0116770555 | -0.5981588079 | 0.000001 | | 30 | -1.0116770555 | -0.5981595986 | 0.000001 | | 31 | -1.0116770555 | -0.5981600865 | 0.000000 | | 32 | -1.0116770555 | -0.5981603874 | 0.000000 | | 33 | -1.0116770555 | -0.5981605731 | 0.000000 | | 34 | -1.0116770555 | -0.5981606876 | 0.000000 | ---------------------------------------------------------- ------------------------------------------------- Summary ------------------------------------------------- One-electron energy: -1.6528060686 au One-electron a energy: -0.8264030343 au One-electron b energy: -0.8264030343 au Kinetic energy: 0.9441710194 au Kinetic a energy: 0.4720855097 au Kinetic b energy: 0.4720855097 au Potential energy: -2.5969770880 au Potential a energy: -1.2984885440 au Potential b energy: -1.2984885440 au ------------------------------------------------- Two-electron energy: 0.3298483009 au Two-electron aa energy: 0.0000000000 au Two-electron ab energy: 0.3298483009 au Two-electron bb energy: 0.0000000000 au Hartree energy: 0.9280089886 au Hartree aa energy: 0.2990803438 au Hartree ab energy: 0.3298483009 au Hartree bb energy: 0.2990803438 au Exchange energy: -0.5981606876 au Exchange a energy: -0.2990803438 au Exchange b energy: -0.2990803438 au ------------------------------------------------- Electronic energy: -1.3229577677 au Nuclear repulsion: 0.3112807122 au UHF energy: -1.0116770555 au ------------------------------------------------- UHF HOMO a energy: -13.511942 eV UHF LUMO a energy: 1.736046 eV UHF HOMOa-LUMOa gap: 15.247988 eV ------------------------------------------------- UHF HOMO b energy: -13.511942 eV UHF LUMO b energy: 1.736046 eV UHF HOMOb-LUMOb gap : 15.247988 eV ------------------------------------------------- S (exact) : 1.000000 S : 2.015973 (exact) : 0.000000 : 0.766036 ------------------------------------------------- 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 -0.16622984 -0.73954488 -0.06280516 0.07800807 0.00000000 2 0.01346902 -0.02715756 -0.07799482 -0.35621589 0.00000000 3 0.03966621 0.76300565 0.73001531 2.82601982 0.00000000 4 0.02656260 -1.07365477 0.03447533 -2.29798584 0.00000000 5 0.00000000 0.00000000 0.00000000 0.00000000 0.11455995 6 0.00000000 0.00000000 0.00000000 0.00000000 -0.40297301 7 -0.00178888 -0.01857178 0.10203139 -0.02870068 0.00000000 8 0.00000000 0.00000000 0.00000000 0.00000000 -0.41536059 9 0.00000000 0.00000000 0.00000000 0.00000000 1.46106130 10 -0.00019269 0.07132934 -0.37398664 0.10514922 0.00000000 11 0.00000000 0.00000000 0.00000000 0.00000000 0.21216471 12 0.00000000 0.00000000 0.00000000 0.00000000 -0.74630491 13 -0.01206147 -0.02832336 0.16907037 -0.05131212 0.00000000 14 -0.00052394 -0.00822849 -0.00784036 -0.02223542 0.00000000 15 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 16 0.00000000 0.00000000 0.00000000 0.00000000 0.00037523 17 -0.00052394 -0.00822849 -0.00784036 -0.02223542 0.00000000 18 0.00000000 0.00000000 0.00000000 0.00000000 -0.00131990 19 -0.00066630 -0.00835268 -0.00513792 -0.02334802 0.00000000 20 -0.00052289 -0.07700088 -0.07674272 -0.30075911 0.00000000 21 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 22 0.00000000 0.00000000 0.00000000 0.00000000 -0.00224196 23 -0.00052289 -0.07700088 -0.07674272 -0.30075911 0.00000000 24 0.00000000 0.00000000 0.00000000 0.00000000 0.00788627 25 -0.00326555 -0.07648308 -0.10204765 -0.30285356 0.00000000 26 0.00000000 0.00000000 0.00000000 0.00000000 0.16784797 27 0.00000000 0.00000000 0.00000000 0.00000000 -0.26404274 28 -0.00034974 -0.01304272 0.06588119 -0.02152940 0.00000000 29 0.00000000 0.00000000 0.00000000 0.00000000 0.07506389 30 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 31 0.00000000 0.00000000 0.00000000 0.00000000 0.07387121 32 0.00000000 0.00000000 0.00000000 0.00000000 -0.59041753 33 -0.00034974 -0.01304272 0.06588119 -0.02152940 0.00000000 34 0.00000000 0.00000000 0.00000000 0.00000000 -0.25984739 35 -0.00168457 -0.02800540 0.14651562 -0.04193804 0.00000000 36 -0.97512689 0.27203192 -0.09374037 -0.12417328 0.00000000 37 0.00798204 0.01316225 -0.24947866 0.08518435 0.00000000 38 0.00864546 -0.07676250 2.51157783 -0.79496328 0.00000000 39 -0.00005654 0.47422150 -2.12766799 1.24424821 0.00000000 40 0.00000000 0.00000000 0.00000000 0.00000000 0.15061131 41 0.00000000 0.00000000 0.00000000 0.00000000 -0.52978631 42 0.00089850 -0.01128029 -0.02567261 -0.15098850 0.00000000 43 0.00000000 0.00000000 0.00000000 0.00000000 -0.54229510 44 0.00000000 0.00000000 0.00000000 0.00000000 1.90756273 45 -0.00207210 0.05524014 0.08851835 0.54335731 0.00000000 46 0.00000000 0.00000000 0.00000000 0.00000000 0.30287787 47 0.00000000 0.00000000 0.00000000 0.00000000 -1.06539508 48 0.00706842 0.01729141 -0.05901738 -0.29110053 0.00000000 49 -0.00078836 0.00060995 -0.02225308 0.00462471 0.00000000 50 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 51 0.00000000 0.00000000 0.00000000 0.00000000 -0.00041397 52 -0.00078836 0.00060995 -0.02225308 0.00462471 0.00000000 53 0.00000000 0.00000000 0.00000000 0.00000000 0.00145616 54 -0.00070130 0.00133643 -0.02175576 0.00790109 0.00000000 55 -0.00044379 0.01179917 -0.26151439 0.08064924 0.00000000 56 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 57 0.00000000 0.00000000 0.00000000 0.00000000 0.00225259 58 -0.00044379 0.01179917 -0.26151439 0.08064924 0.00000000 59 0.00000000 0.00000000 0.00000000 0.00000000 -0.00792364 60 -0.00211825 0.00292861 -0.27360847 0.05724950 0.00000000 61 0.00000000 0.00000000 0.00000000 0.00000000 0.21958986 62 0.00000000 0.00000000 0.00000000 0.00000000 -0.34543825 63 0.00040316 -0.00884028 -0.01398520 -0.09817707 0.00000000 64 0.00000000 0.00000000 0.00000000 0.00000000 0.09820357 65 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 66 0.00000000 0.00000000 0.00000000 0.00000000 0.09730962 67 0.00000000 0.00000000 0.00000000 0.00000000 -0.77242340 68 0.00040316 -0.00884028 -0.01398520 -0.09817707 0.00000000 69 0.00000000 0.00000000 0.00000000 0.00000000 -0.34229371 70 0.00132107 -0.01818889 -0.03519503 -0.21605943 0.00000000 6 7 8 9 10 1 0.00000000 -0.00018613 0.00000000 0.00000000 -0.36117601 2 0.00000000 0.12725271 0.00000000 0.00000000 0.09584661 3 0.00000000 -1.05763100 0.00000000 0.00000000 -0.18087158 4 0.00000000 0.39276644 0.00000000 0.00000000 -0.91547417 5 0.40297301 0.00000000 0.62258747 -0.24949250 0.00000000 6 0.11455995 0.00000000 -0.24949250 -0.62258747 0.00000000 7 0.00000000 0.45345309 0.00000000 0.00000000 -0.80442212 8 -1.46106130 0.00000000 -2.27193863 0.91044501 0.00000000 9 -0.41536059 0.00000000 0.91044501 2.27193863 0.00000000 10 0.00000000 -1.65230919 0.00000000 0.00000000 2.96605158 11 0.74630491 0.00000000 1.29476749 -0.51885847 0.00000000 12 0.21216471 0.00000000 -0.51885847 -1.29476749 0.00000000 13 0.00000000 0.86527985 0.00000000 0.00000000 -2.21777294 14 0.00000000 0.00556074 0.00000000 0.00000000 -0.00829737 15 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 16 0.00131990 0.00000000 0.00088218 -0.00035352 0.00000000 17 0.00000000 0.00556074 0.00000000 0.00000000 -0.00829737 18 0.00037523 0.00000000 -0.00035352 -0.00088218 0.00000000 19 0.00000000 0.00809874 0.00000000 0.00000000 -0.00333997 20 0.00000000 0.11478473 0.00000000 0.00000000 0.01297645 21 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 22 -0.00788627 0.00000000 -0.00425547 0.00170532 0.00000000 23 0.00000000 0.11478473 0.00000000 0.00000000 0.01297645 24 -0.00224196 0.00000000 0.00170532 0.00425547 0.00000000 25 0.00000000 0.06981320 0.00000000 0.00000000 -0.04264906 26 0.59041753 0.00000000 0.90365507 -0.36212609 0.00000000 27 0.07506389 0.00000000 -0.16194771 -0.40412684 0.00000000 28 0.00000000 0.29047658 0.00000000 0.00000000 -0.51471189 29 0.26404274 0.00000000 0.40412684 -0.16194771 0.00000000 30 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 31 0.25984739 0.00000000 0.40785627 -0.16344223 0.00000000 32 0.16784797 0.00000000 -0.36212609 -0.90365507 0.00000000 33 0.00000000 0.29047658 0.00000000 0.00000000 -0.51471189 34 0.07387121 0.00000000 -0.16344223 -0.40785627 0.00000000 35 0.00000000 0.65955113 0.00000000 0.00000000 -1.15871396 36 0.00000000 0.07715675 0.00000000 0.00000000 0.55802288 37 0.00000000 0.07011647 0.00000000 0.00000000 0.01150768 38 0.00000000 -0.74291431 0.00000000 0.00000000 -0.31623788 39 0.00000000 0.31594172 0.00000000 0.00000000 0.97170106 40 0.52978631 0.00000000 -0.44743335 0.17930214 0.00000000 41 0.15061131 0.00000000 0.17930214 0.44743335 0.00000000 42 0.00000000 -0.49238193 0.00000000 0.00000000 -0.70425349 43 -1.90756273 0.00000000 1.62295498 -0.65037464 0.00000000 44 -0.54229510 0.00000000 -0.65037464 -1.62295498 0.00000000 45 0.00000000 1.78086555 0.00000000 0.00000000 2.58655809 46 1.06539508 0.00000000 -1.00347434 0.40212715 0.00000000 47 0.30287787 0.00000000 0.40212715 1.00347434 0.00000000 48 0.00000000 -1.04794387 0.00000000 0.00000000 -2.07318660 49 0.00000000 0.00446021 0.00000000 0.00000000 0.01249849 50 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 51 -0.00145616 0.00000000 0.00105390 -0.00042233 0.00000000 52 0.00000000 0.00446021 0.00000000 0.00000000 0.01249849 53 -0.00041397 0.00000000 -0.00042233 -0.00105390 0.00000000 54 0.00000000 0.00605592 0.00000000 0.00000000 0.00727043 55 0.00000000 0.08159634 0.00000000 0.00000000 0.05528766 56 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 57 0.00792364 0.00000000 -0.00646432 0.00259048 0.00000000 58 0.00000000 0.08159634 0.00000000 0.00000000 0.05528766 59 0.00225259 0.00000000 0.00259048 0.00646432 0.00000000 60 0.00000000 0.04235717 0.00000000 0.00000000 0.11716648 61 0.77242340 0.00000000 -0.64618367 0.25894832 0.00000000 62 0.09820357 0.00000000 0.11580521 0.28898212 0.00000000 63 0.00000000 -0.31424988 0.00000000 0.00000000 -0.44994033 64 0.34543825 0.00000000 -0.28898212 0.11580521 0.00000000 65 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 66 0.34229371 0.00000000 -0.29372651 0.11770645 0.00000000 67 0.21958986 0.00000000 0.25894832 0.64618367 0.00000000 68 0.00000000 -0.31424988 0.00000000 0.00000000 -0.44994033 69 0.09730962 0.00000000 0.11770645 0.29372651 0.00000000 70 0.00000000 -0.71392312 0.00000000 0.00000000 -1.01298427 11 12 13 14 15 1 -0.82664809 2.78776192 0.16067865 0.00000000 0.00000000 2 -0.20030995 1.47880416 0.03352817 0.00000000 0.00000000 3 1.16082559 -7.15085312 -0.14053001 0.00000000 0.00000000 4 0.02466687 0.68723646 -0.07615778 0.00000000 0.00000000 5 0.00000000 0.00000000 0.00000000 0.04682741 -1.07090997 6 0.00000000 0.00000000 0.00000000 1.07090997 0.04682741 7 -0.07410548 -0.20136022 1.26961263 0.00000000 0.00000000 8 0.00000000 0.00000000 0.00000000 -0.17564594 4.01689920 9 0.00000000 0.00000000 0.00000000 -4.01689920 -0.17564594 10 0.28587307 0.77344513 -4.83235947 0.00000000 0.00000000 11 0.00000000 0.00000000 0.00000000 0.03052506 -0.69808671 12 0.00000000 0.00000000 0.00000000 0.69808671 0.03052506 13 -0.55588587 -0.70633253 0.94575081 0.00000000 0.00000000 14 -0.02141150 0.05549153 -0.01452339 0.00000000 0.00000000 15 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 16 0.00000000 0.00000000 0.00000000 0.00211500 -0.04836861 17 -0.02141150 0.05549153 -0.01452339 0.00000000 0.00000000 18 0.00000000 0.00000000 0.00000000 0.04836861 0.00211500 19 -0.00759432 0.06036105 0.01504214 0.00000000 0.00000000 20 -0.18313753 1.03741591 0.08210741 0.00000000 0.00000000 21 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 22 0.00000000 0.00000000 0.00000000 -0.01495006 0.34189745 23 -0.18313753 1.03741591 0.08210741 0.00000000 0.00000000 24 0.00000000 0.00000000 0.00000000 -0.34189745 -0.01495006 25 -0.32706745 1.01498838 -0.29532734 0.00000000 0.00000000 26 0.00000000 0.00000000 0.00000000 0.06970468 -1.59409696 27 0.00000000 0.00000000 0.00000000 0.71290183 0.03117288 28 -0.04429131 -0.12097138 0.82424056 0.00000000 0.00000000 29 0.00000000 0.00000000 0.00000000 0.03117288 -0.71290183 30 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 31 0.00000000 0.00000000 0.00000000 0.03008334 -0.68798474 32 0.00000000 0.00000000 0.00000000 1.59409696 0.06970468 33 -0.04429131 -0.12097138 0.82424056 0.00000000 0.00000000 34 0.00000000 0.00000000 0.00000000 0.68798474 0.03008334 35 -0.11868916 -0.29084249 1.86716517 0.00000000 0.00000000 36 -2.71296868 -0.65738912 0.13088072 0.00000000 0.00000000 37 -1.41067557 -0.54526304 0.00298573 0.00000000 0.00000000 38 6.87306795 2.46447417 -0.04134695 0.00000000 0.00000000 39 -0.63328527 -0.39618812 -0.01073602 0.00000000 0.00000000 40 0.00000000 0.00000000 0.00000000 0.07509471 -1.71736329 41 0.00000000 0.00000000 0.00000000 1.71736329 0.07509471 42 -0.18978349 -0.09441589 -1.40489778 0.00000000 0.00000000 43 0.00000000 0.00000000 0.00000000 -0.28414946 6.49829853 44 0.00000000 0.00000000 0.00000000 -6.49829853 -0.28414946 45 0.71814694 0.37162559 5.37494824 0.00000000 0.00000000 46 0.00000000 0.00000000 0.00000000 0.05449440 -1.24624872 47 0.00000000 0.00000000 0.00000000 1.24624872 0.05449440 48 -0.51655311 -0.68854333 -1.15121837 0.00000000 0.00000000 49 -0.05575752 -0.00793277 -0.01414956 0.00000000 0.00000000 50 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 51 0.00000000 0.00000000 0.00000000 -0.00224308 0.05129755 52 -0.05575752 -0.00793277 -0.01414956 0.00000000 0.00000000 53 0.00000000 0.00000000 0.00000000 -0.05129755 -0.00224308 54 -0.05389020 -0.02241830 0.01429344 0.00000000 0.00000000 55 -0.96489973 -0.33753098 0.06608696 0.00000000 0.00000000 56 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 57 0.00000000 0.00000000 0.00000000 0.01602421 -0.36646246 58 -0.96489973 -0.33753098 0.06608696 0.00000000 0.00000000 59 0.00000000 0.00000000 0.00000000 0.36646246 0.01602421 60 -1.01078034 -0.19703438 -0.30698043 0.00000000 0.00000000 61 0.00000000 0.00000000 0.00000000 0.11129796 -2.54530608 62 0.00000000 0.00000000 0.00000000 1.13829548 0.04977396 63 -0.11603190 -0.05339071 -0.91241046 0.00000000 0.00000000 64 0.00000000 0.00000000 0.00000000 0.04977396 -1.13829548 65 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 66 0.00000000 0.00000000 0.00000000 0.04895594 -1.11958789 67 0.00000000 0.00000000 0.00000000 2.54530608 0.11129796 68 -0.11603190 -0.05339071 -0.91241046 0.00000000 0.00000000 69 0.00000000 0.00000000 0.00000000 1.11958789 0.04895594 70 -0.26786159 -0.14687328 -2.06661396 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 -0.02374485 -0.33199340 -0.67829924 1.89600309 0.00000000 6 -0.33199340 0.02374485 -1.89600309 -0.67829924 0.00000000 7 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 8 0.08964134 1.25333852 2.57118013 -7.18704249 0.00000000 9 1.25333852 -0.08964134 7.18704249 2.57118013 0.00000000 10 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 11 -0.02866705 -0.40081419 -0.49586849 1.38606698 0.00000000 12 -0.40081419 0.02866705 -1.38606698 -0.49586849 0.00000000 13 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 14 0.00000000 0.00000000 0.00000000 0.00000000 -0.08114778 15 0.00000000 0.00000000 0.00000000 0.00000000 -0.00001160 16 -0.00558485 -0.07808569 0.00970118 -0.02711705 0.00000000 17 0.00000000 0.00000000 0.00000000 0.00000000 0.08114778 18 -0.07808569 0.00558485 0.02711705 0.00970118 0.00000000 19 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 20 0.00000000 0.00000000 0.00000000 0.00000000 0.56186352 21 0.00000000 0.00000000 0.00000000 0.00000000 0.00008028 22 0.03883903 0.54303568 -0.07208255 0.20148737 0.00000000 23 0.00000000 0.00000000 0.00000000 0.00000000 -0.56186352 24 0.54303568 -0.03883903 -0.20148737 -0.07208255 0.00000000 25 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 26 -0.03465799 -0.48457773 -0.99835622 2.79063629 0.00000000 27 -0.21670975 0.01549953 -1.24801049 -0.44647848 0.00000000 28 0.00000000 0.00000000 0.00000000 0.00000000 0.00718122 29 -0.01549953 -0.21670975 -0.44647848 1.24801049 0.00000000 30 0.00000000 0.00000000 0.00000000 0.00000000 0.00000103 31 -0.01538286 -0.21507854 -0.45047465 1.25918071 0.00000000 32 -0.48457773 0.03465799 -2.79063629 -0.99835622 0.00000000 33 0.00000000 0.00000000 0.00000000 0.00000000 -0.00718122 34 -0.21507854 0.01538286 -1.25918071 -0.45047465 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 0.09242732 1.29229132 0.24935036 -0.69699186 0.00000000 41 1.29229132 -0.09242732 0.69699186 0.24935036 0.00000000 42 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 43 -0.35291197 -4.93431014 -0.95396687 2.66655780 0.00000000 44 -4.93431014 0.35291197 -2.66655780 -0.95396687 0.00000000 45 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 46 0.06655881 0.93060550 0.23879076 -0.66747535 0.00000000 47 0.93060550 -0.06655881 0.66747535 0.23879076 0.00000000 48 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 49 0.00000000 0.00000000 0.00000000 0.00000000 -0.10164476 50 0.00000000 0.00000000 0.00000000 0.00000000 -0.00001452 51 0.00548041 0.07662541 -0.01285277 0.03592645 0.00000000 52 0.00000000 0.00000000 0.00000000 0.00000000 0.10164476 53 0.07662541 -0.00548041 -0.03592645 -0.01285277 0.00000000 54 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 55 0.00000000 0.00000000 0.00000000 0.00000000 0.72855270 56 0.00000000 0.00000000 0.00000000 0.00000000 0.00010410 57 -0.04019324 -0.56196987 0.08957415 -0.25038044 0.00000000 58 0.00000000 0.00000000 0.00000000 0.00000000 -0.72855270 59 -0.56196987 0.04019324 0.25038044 0.08957415 0.00000000 60 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 61 0.13605824 1.90232578 0.36393494 -1.01728224 0.00000000 62 0.85074595 -0.06084709 0.45494245 0.16275665 0.00000000 63 0.00000000 0.00000000 0.00000000 0.00000000 -0.00539010 64 0.06084709 0.85074595 0.16275665 -0.45494245 0.00000000 65 0.00000000 0.00000000 0.00000000 0.00000000 -0.00000077 66 0.06190087 0.86547954 0.16739365 -0.46790392 0.00000000 67 1.90232578 -0.13605824 1.01728224 0.36393494 0.00000000 68 0.00000000 0.00000000 0.00000000 0.00000000 0.00539010 69 0.86547954 -0.06190087 0.46790392 0.16739365 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 -0.26809769 0.13800966 2 0.00000000 0.00000000 0.00000000 0.14404599 0.06700232 3 0.00000000 0.00000000 0.00000000 0.01692825 0.27222849 4 0.00000000 0.00000000 0.00000000 -0.62753740 -0.22220443 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 -1.70615910 -1.23961135 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 6.54820732 4.69470656 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 -2.02862359 -0.95100359 14 -0.00001004 0.10102396 0.00009023 -0.01863890 -0.03967339 15 0.09370138 0.00010419 -0.11665242 0.00000000 0.00000000 16 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 17 0.00001004 -0.10102396 -0.00009023 -0.01863890 -0.03967339 18 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 19 0.00000000 0.00000000 0.00000000 -0.01197448 0.07153894 20 0.00006953 -0.74810717 -0.00066815 -0.01878291 0.25384206 21 -0.64878411 -0.00077152 0.86383975 0.00000000 0.00000000 22 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 23 -0.00006953 0.74810717 0.00066815 -0.01878291 0.25384206 24 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 25 0.00000000 0.00000000 0.00000000 -0.19512911 -0.71316948 26 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 27 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 28 0.00000089 0.00682638 0.00000610 -1.10404997 -0.82556909 29 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 30 -0.00829215 0.00000704 -0.00788243 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 -0.00000089 -0.00682638 -0.00000610 -1.10404997 -0.82556909 34 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 35 0.00000000 0.00000000 0.00000000 -2.49076881 -1.81349760 36 0.00000000 0.00000000 0.00000000 0.24521693 0.16266735 37 0.00000000 0.00000000 0.00000000 -0.15153286 0.05433148 38 0.00000000 0.00000000 0.00000000 -0.09900845 0.25192571 39 0.00000000 0.00000000 0.00000000 0.66411912 -0.14011596 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 -1.73071055 0.97508112 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 6.67208755 -3.68773168 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 -2.08083802 0.70196424 49 -0.00001258 -0.07605657 -0.00006793 0.02621103 -0.03779635 50 0.11736925 -0.00007844 0.08782257 0.00000000 0.00000000 51 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 52 0.00001258 0.07605657 0.00006793 0.02621103 -0.03779635 53 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 54 0.00000000 0.00000000 0.00000000 0.00172997 0.07283364 55 0.00009016 0.58497628 0.00052246 -0.01164840 0.26014909 56 -0.84126019 0.00060328 -0.67547243 0.00000000 0.00000000 57 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 58 -0.00009016 -0.58497628 -0.00052246 -0.01164840 0.26014909 59 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 60 0.00000000 0.00000000 0.00000000 0.33944457 -0.70948834 61 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 62 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 63 -0.00000067 0.00880682 0.00000787 -1.12373000 0.65512605 64 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 65 0.00622395 0.00000908 -0.01016924 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 0.00000067 -0.00880682 -0.00000787 -1.12373000 0.65512605 69 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 70 0.00000000 0.00000000 0.00000000 -2.52937575 1.42619082 26 27 28 29 30 1 0.00000000 0.00000000 -0.64616675 1.37882229 -0.62044714 2 0.00000000 0.00000000 0.27676017 0.31965962 0.55272670 3 0.00000000 0.00000000 1.49539617 -6.25559164 1.26331085 4 0.00000000 0.00000000 -0.03457428 0.47627011 -0.38284521 5 -0.27934268 0.07567512 0.00000000 0.00000000 0.00000000 6 -0.07567512 -0.27934268 0.00000000 0.00000000 0.00000000 7 0.00000000 0.00000000 -0.05049343 -0.15272988 -0.28617746 8 1.04962786 -0.28434866 0.00000000 0.00000000 0.00000000 9 0.28434866 1.04962786 0.00000000 0.00000000 0.00000000 10 0.00000000 0.00000000 0.21601605 0.60031744 0.89422208 11 -0.42976765 0.11642589 0.00000000 0.00000000 0.00000000 12 -0.11642589 -0.42976765 0.00000000 0.00000000 0.00000000 13 0.00000000 0.00000000 -0.46080511 -1.07564589 -1.09196793 14 0.00000000 0.00000000 -0.04917065 0.05247299 -0.09837836 15 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 16 0.10184570 -0.02759043 0.00000000 0.00000000 0.00000000 17 0.00000000 0.00000000 -0.04917065 0.05247299 -0.09837836 18 0.02759043 0.10184570 0.00000000 0.00000000 0.00000000 19 0.00000000 0.00000000 -0.03891000 0.17344703 0.03805715 20 0.00000000 0.00000000 -0.57280184 2.03467538 -0.28035237 21 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 22 -0.86034278 0.23307053 0.00000000 0.00000000 0.00000000 23 0.00000000 0.00000000 -0.57280184 2.03467538 -0.28035237 24 -0.23307053 -0.86034278 0.00000000 0.00000000 0.00000000 25 0.00000000 0.00000000 -0.78184849 0.83204421 -1.66956577 26 -0.42138187 0.11415414 0.00000000 0.00000000 0.00000000 27 -0.05105129 -0.18844770 0.00000000 0.00000000 0.00000000 28 0.00000000 0.00000000 -0.02292563 -0.10255731 -0.22460699 29 -0.18844770 0.05105129 0.00000000 0.00000000 0.00000000 30 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 31 -0.14408160 0.03903232 0.00000000 0.00000000 0.00000000 32 -0.11415414 -0.42138187 0.00000000 0.00000000 0.00000000 33 0.00000000 0.00000000 -0.02292563 -0.10255731 -0.22460699 34 -0.03903232 -0.14408160 0.00000000 0.00000000 0.00000000 35 0.00000000 0.00000000 -0.09763859 -0.17675255 -0.33257768 36 0.00000000 0.00000000 -1.52400785 -0.36247558 0.49399609 37 0.00000000 0.00000000 -0.07672926 -0.45159356 -0.51443993 38 0.00000000 0.00000000 5.95860691 2.83741105 -0.86622388 39 0.00000000 0.00000000 -0.44197213 -0.26922020 0.36172893 40 0.27066729 -0.07332492 0.00000000 0.00000000 0.00000000 41 0.07332492 0.27066729 0.00000000 0.00000000 0.00000000 42 0.00000000 0.00000000 -0.07881859 -0.13820256 -0.31186484 43 -1.01545623 0.27509142 0.00000000 0.00000000 0.00000000 44 -0.27509142 -1.01545623 0.00000000 0.00000000 0.00000000 45 0.00000000 0.00000000 0.31333913 0.54634588 0.96532059 46 0.42723851 -0.11574073 0.00000000 0.00000000 0.00000000 47 0.11574073 0.42723851 0.00000000 0.00000000 0.00000000 48 0.00000000 0.00000000 -0.44977936 -1.07691965 -1.09454585 49 0.00000000 0.00000000 -0.08393356 0.00628481 0.09048938 50 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 51 0.09416785 -0.02551047 0.00000000 0.00000000 0.00000000 52 0.00000000 0.00000000 -0.08393356 0.00628481 0.09048938 53 0.02551047 0.09416785 0.00000000 0.00000000 0.00000000 54 0.00000000 0.00000000 -0.15536012 -0.08179909 -0.04412527 55 0.00000000 0.00000000 -1.96458030 -0.85830820 0.14890961 56 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 57 -0.82349282 0.22308772 0.00000000 0.00000000 0.00000000 58 0.00000000 0.00000000 -1.96458030 -0.85830820 0.14890961 59 -0.22308772 -0.82349282 0.00000000 0.00000000 0.00000000 60 0.00000000 0.00000000 -1.31145466 0.12353022 1.53780527 61 0.40992121 -0.11104940 0.00000000 0.00000000 0.00000000 62 0.04966280 0.18332234 0.00000000 0.00000000 0.00000000 63 0.00000000 0.00000000 -0.05664914 -0.08561147 -0.24286279 64 0.18332234 -0.04966280 0.00000000 0.00000000 0.00000000 65 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 66 0.13597087 -0.03683509 0.00000000 0.00000000 0.00000000 67 0.11104940 0.40992121 0.00000000 0.00000000 0.00000000 68 0.00000000 0.00000000 -0.05664914 -0.08561147 -0.24286279 69 0.03683509 0.13597087 0.00000000 0.00000000 0.00000000 70 0.00000000 0.00000000 -0.07166505 -0.18657190 -0.36117885 31 32 33 34 35 1 0.00000000 0.00000000 0.00000000 0.00000000 0.24922927 2 0.00000000 0.00000000 0.00000000 0.00000000 -0.06888895 3 0.00000000 0.00000000 0.00000000 0.00000000 -0.46052243 4 0.00000000 0.00000000 0.00000000 0.00000000 -0.05203465 5 -0.16306649 -2.28538339 0.31938674 -3.41080813 0.00000000 6 -2.28538339 0.16306649 3.41080813 0.31938674 0.00000000 7 0.00000000 0.00000000 0.00000000 0.00000000 2.33071467 8 0.50482029 7.07507675 -0.99931162 10.67189003 0.00000000 9 7.07507675 -0.50482029 -10.67189004 -0.99931162 0.00000000 10 0.00000000 0.00000000 0.00000000 0.00000000 -7.17499650 11 -0.04594145 -0.64387132 0.11021880 -1.17705322 0.00000000 12 -0.64387132 0.04594145 1.17705322 0.11021880 0.00000000 13 0.00000000 0.00000000 0.00000000 0.00000000 0.72952630 14 0.00000000 0.00000000 0.00000000 0.00000000 0.02496787 15 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 16 0.00036129 0.00506356 0.00056321 -0.00601470 0.00000000 17 0.00000000 0.00000000 0.00000000 0.00000000 0.02496787 18 0.00506356 -0.00036129 0.00601470 0.00056321 0.00000000 19 0.00000000 0.00000000 0.00000000 0.00000000 -0.05486046 20 0.00000000 0.00000000 0.00000000 0.00000000 0.01394860 21 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 22 -0.00188070 -0.02635804 0.00152563 -0.01629256 0.00000000 23 0.00000000 0.00000000 0.00000000 0.00000000 0.01394860 24 -0.02635804 0.00188070 0.01629256 0.00152563 0.00000000 25 0.00000000 0.00000000 0.00000000 0.00000000 0.26524712 26 -0.24755342 -3.46947113 0.47595836 -5.08287418 0.00000000 27 -1.55159466 0.11070925 2.27313044 0.21285505 0.00000000 28 0.00000000 0.00000000 0.00000000 0.00000000 1.55891413 29 -0.11070925 -1.55159466 0.21285505 -2.27313044 0.00000000 30 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 31 -0.10497082 -1.47117026 0.21712177 -2.31869580 0.00000000 32 -3.46947113 0.24755342 5.08287418 0.47595836 0.00000000 33 0.00000000 0.00000000 0.00000000 0.00000000 1.55891413 34 -1.47117026 0.10497082 2.31869580 0.21712177 0.00000000 35 0.00000000 0.00000000 0.00000000 0.00000000 3.46118207 36 0.00000000 0.00000000 0.00000000 0.00000000 0.26506119 37 0.00000000 0.00000000 0.00000000 0.00000000 -0.04514984 38 0.00000000 0.00000000 0.00000000 0.00000000 -0.45254698 39 0.00000000 0.00000000 0.00000000 0.00000000 0.05765215 40 -0.23067015 -3.23285147 -0.24090940 2.57272967 0.00000000 41 -3.23285147 0.23067015 -2.57272967 -0.24090940 0.00000000 42 0.00000000 0.00000000 0.00000000 0.00000000 -3.34126028 43 0.71650241 10.04181019 0.75553456 -8.06853599 0.00000000 44 10.04181019 -0.71650241 8.06853599 0.75553456 0.00000000 45 0.00000000 0.00000000 0.00000000 0.00000000 10.39998983 46 -0.07016377 -0.98334809 -0.08742305 0.93361183 0.00000000 47 -0.98334809 0.07016377 -0.93361183 -0.08742305 0.00000000 48 0.00000000 0.00000000 0.00000000 0.00000000 -1.12915420 49 0.00000000 0.00000000 0.00000000 0.00000000 0.01884220 50 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 51 -0.00021794 -0.00305444 0.00067657 -0.00722524 0.00000000 52 0.00000000 0.00000000 0.00000000 0.00000000 0.01884220 53 -0.00305444 0.00021794 0.00722524 0.00067657 0.00000000 54 0.00000000 0.00000000 0.00000000 0.00000000 -0.03396370 55 0.00000000 0.00000000 0.00000000 0.00000000 0.02260381 56 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 57 0.00206952 0.02900442 0.00070776 -0.00755835 0.00000000 58 0.00000000 0.00000000 0.00000000 0.00000000 0.02260381 59 0.02900442 -0.00206952 0.00755835 0.00070776 0.00000000 60 0.00000000 0.00000000 0.00000000 0.00000000 0.14385561 61 -0.34728884 -4.86726718 -0.35616830 3.80360725 0.00000000 62 -2.17670806 0.15531229 -1.70102487 -0.15928331 0.00000000 63 0.00000000 0.00000000 0.00000000 0.00000000 -2.20289880 64 -0.15531229 -2.17670806 -0.15928331 1.70102487 0.00000000 65 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 66 -0.15070714 -2.11216669 -0.16607412 1.77354557 0.00000000 67 -4.86726718 0.34728884 -3.80360725 -0.35616830 0.00000000 68 0.00000000 0.00000000 0.00000000 0.00000000 -2.20289880 69 -2.11216669 0.15070714 -1.77354557 -0.16607412 0.00000000 70 0.00000000 0.00000000 0.00000000 0.00000000 -4.97895986 36 37 38 39 40 1 0.07596216 0.00000000 0.00000000 -0.06217184 0.00000000 2 0.06866980 0.00000000 0.00000000 -0.05987842 0.00000000 3 -0.03546223 0.00000000 0.00000000 0.52925956 0.00000000 4 0.39123270 0.00000000 0.00000000 -0.06866600 0.00000000 5 0.00000000 -0.06507806 0.37889540 0.00000000 0.00000000 6 0.00000000 0.37889540 0.06507806 0.00000000 0.00000000 7 3.95793608 0.00000000 0.00000000 0.60463596 0.00000000 8 0.00000000 0.19965795 -1.16244222 0.00000000 0.00000000 9 0.00000000 -1.16244222 -0.19965795 0.00000000 0.00000000 10 -12.59737946 0.00000000 0.00000000 -2.15839151 0.00000000 11 0.00000000 -0.01989801 0.11584957 0.00000000 0.00000000 12 0.00000000 0.11584957 0.01989801 0.00000000 0.00000000 13 1.53549733 0.00000000 0.00000000 0.31572779 0.00000000 14 -0.01807545 0.00000000 0.00000000 -0.04647926 -0.01794750 15 0.00000000 0.00000000 0.00000000 0.00000000 -0.00002631 16 0.00000000 0.00578097 -0.03365776 0.00000000 0.00000000 17 -0.01807545 0.00000000 0.00000000 -0.04647926 0.01794750 18 0.00000000 -0.03365776 -0.00578097 0.00000000 0.00000000 19 0.07049778 0.00000000 0.00000000 0.00608647 0.00000000 20 0.03458056 0.00000000 0.00000000 -0.16744145 -0.01163807 21 0.00000000 0.00000000 0.00000000 0.00000000 -0.00001706 22 0.00000000 0.00833283 -0.04851517 0.00000000 0.00000000 23 0.03458056 0.00000000 0.00000000 -0.16744145 0.01163807 24 0.00000000 -0.04851517 -0.00833283 0.00000000 0.00000000 25 -0.35637323 0.00000000 0.00000000 -0.19724510 0.00000000 26 0.00000000 -0.02191808 0.12761073 0.00000000 0.00000000 27 0.00000000 0.05706925 0.00980206 0.00000000 0.00000000 28 2.54986207 0.00000000 0.00000000 -0.03647991 0.55698877 29 0.00000000 -0.00980206 0.05706925 0.00000000 0.00000000 30 0.00000000 0.00000000 0.00000000 0.00000000 0.00081655 31 0.00000000 -0.16658248 0.96987122 0.00000000 0.00000000 32 0.00000000 0.12761073 0.02191808 0.00000000 0.00000000 33 2.54986207 0.00000000 0.00000000 -0.03647991 -0.55698877 34 0.00000000 0.96987122 0.16658248 0.00000000 0.00000000 35 5.98949745 0.00000000 0.00000000 1.65318431 0.00000000 36 -0.01025982 0.00000000 0.00000000 -0.07299681 0.00000000 37 -0.08104849 0.00000000 0.00000000 -0.05949141 0.00000000 38 -0.08650877 0.00000000 0.00000000 0.53057864 0.00000000 39 -0.38932425 0.00000000 0.00000000 -0.06972502 0.00000000 40 0.00000000 -0.06084806 0.35426767 0.00000000 0.00000000 41 0.00000000 0.35426767 0.06084806 0.00000000 0.00000000 42 3.18845684 0.00000000 0.00000000 -0.54483451 0.00000000 43 0.00000000 0.18660926 -1.08647051 0.00000000 0.00000000 44 0.00000000 -1.08647051 -0.18660926 0.00000000 0.00000000 45 -10.21220942 0.00000000 0.00000000 1.96648235 0.00000000 46 0.00000000 -0.01910807 0.11125037 0.00000000 0.00000000 47 0.00000000 0.11125037 0.01910807 0.00000000 0.00000000 48 1.28857484 0.00000000 0.00000000 -0.29885220 0.00000000 49 0.02463980 0.00000000 0.00000000 -0.04789689 -0.01564149 50 0.00000000 0.00000000 0.00000000 0.00000000 -0.00002293 51 0.00000000 -0.00544582 0.03170646 0.00000000 0.00000000 52 0.02463980 0.00000000 0.00000000 -0.04789689 0.01564149 53 0.00000000 0.03170646 0.00544582 0.00000000 0.00000000 54 -0.08293578 0.00000000 0.00000000 0.00730889 0.00000000 55 -0.02962128 0.00000000 0.00000000 -0.16693062 -0.00894230 56 0.00000000 0.00000000 0.00000000 0.00000000 -0.00001311 57 0.00000000 -0.00729789 0.04248956 0.00000000 0.00000000 58 -0.02962128 0.00000000 0.00000000 -0.16693062 0.00894230 59 0.00000000 0.04248956 0.00729789 0.00000000 0.00000000 60 0.41111325 0.00000000 0.00000000 -0.17929504 0.00000000 61 0.00000000 -0.01272629 0.07409459 0.00000000 0.00000000 62 0.00000000 0.03313611 0.00569137 0.00000000 0.00000000 63 2.03097768 0.00000000 0.00000000 0.08220651 -0.65711339 64 0.00000000 -0.00569137 0.03313611 0.00000000 0.00000000 65 0.00000000 0.00000000 0.00000000 0.00000000 -0.00096333 66 0.00000000 -0.16883469 0.98298400 0.00000000 0.00000000 67 0.00000000 0.07409459 0.01272629 0.00000000 0.00000000 68 2.03097768 0.00000000 0.00000000 0.08220651 0.65711339 69 0.00000000 0.98298400 0.16883469 0.00000000 0.00000000 70 4.84204004 0.00000000 0.00000000 -1.57543784 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 -0.00002279 0.00000000 0.00000000 0.00000000 0.00000000 15 0.02072398 0.00000000 0.00000000 0.00000000 0.00000000 16 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 17 0.00002279 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 -0.00001478 0.00000000 0.00000000 0.00000000 0.00000000 21 0.01343848 0.00000000 0.00000000 0.00000000 0.00000000 22 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 23 0.00001478 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 0.18565997 0.02674253 0.11755780 -0.75894382 27 0.00000000 -0.03587887 0.24908898 -1.01822998 -0.15772034 28 0.00070715 0.00000000 0.00000000 0.00000000 0.00000000 29 0.00000000 -0.24908898 -0.03587887 -0.15772034 1.01822998 30 -0.64315524 0.00000000 0.00000000 0.00000000 0.00000000 31 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 32 0.00000000 0.02674253 -0.18565997 0.75894382 0.11755780 33 -0.00070715 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 -0.00001986 0.00000000 0.00000000 0.00000000 0.00000000 50 0.01806124 0.00000000 0.00000000 0.00000000 0.00000000 51 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 52 0.00001986 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 -0.00001135 0.00000000 0.00000000 0.00000000 0.00000000 56 0.01032568 0.00000000 0.00000000 0.00000000 0.00000000 57 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 58 0.00001135 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 0.76001173 0.10947237 -0.02879948 0.18592714 62 0.00000000 -0.14687259 1.01966274 0.24944743 0.03863855 63 -0.00083427 0.00000000 0.00000000 0.00000000 0.00000000 64 0.00000000 -1.01966274 -0.14687259 0.03863855 -0.24944743 65 0.75876919 0.00000000 0.00000000 0.00000000 0.00000000 66 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 67 0.00000000 0.10947237 -0.76001173 -0.18592714 -0.02879948 68 0.00083427 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 -1.88660829 2 0.00000000 0.00000000 0.00000000 0.00000000 0.55242598 3 0.00000000 0.00000000 0.00000000 0.00000000 1.03962803 4 0.00000000 0.00000000 0.00000000 0.00000000 0.38010108 5 0.00000000 0.00000000 0.24889821 -0.04302070 0.00000000 6 0.00000000 0.00000000 0.04302070 0.24889821 0.00000000 7 0.00000000 0.00000000 0.00000000 0.00000000 -1.45631836 8 0.00000000 0.00000000 -0.69185014 0.11958252 0.00000000 9 0.00000000 0.00000000 -0.11958252 -0.69185014 0.00000000 10 0.00000000 0.00000000 0.00000000 0.00000000 4.54788036 11 0.00000000 0.00000000 0.01862779 -0.00321971 0.00000000 12 0.00000000 0.00000000 0.00321971 0.01862779 0.00000000 13 0.00000000 0.00000000 0.00000000 0.00000000 -0.46851182 14 -0.01724772 -0.00006775 0.00000000 0.00000000 -0.15175934 15 -0.00007824 0.01991595 0.00000000 0.00000000 0.00000000 16 0.00000000 0.00000000 -0.11323718 0.01957243 0.00000000 17 0.01724772 0.00006775 0.00000000 0.00000000 -0.15175934 18 0.00000000 0.00000000 -0.01957243 -0.11323718 0.00000000 19 0.00000000 0.00000000 0.00000000 0.00000000 0.28644925 20 -0.01061649 -0.00004170 0.00000000 0.00000000 -0.04433240 21 -0.00004816 0.01225887 0.00000000 0.00000000 0.00000000 22 0.00000000 0.00000000 -0.06204911 0.01072485 0.00000000 23 0.01061649 0.00004170 0.00000000 0.00000000 -0.04433240 24 0.00000000 0.00000000 -0.01072485 -0.06204911 0.00000000 25 0.00000000 0.00000000 0.00000000 0.00000000 0.22462908 26 0.00000000 0.00000000 0.76093628 -0.13152368 0.00000000 27 0.00000000 0.00000000 0.05881918 0.34030105 0.00000000 28 -0.66256442 -0.00260275 0.00000000 0.00000000 -1.35506844 29 0.00000000 0.00000000 0.34030105 -0.05881918 0.00000000 30 -0.00300540 0.76506349 0.00000000 0.00000000 0.00000000 31 0.00000000 0.00000000 -0.63819391 0.11030833 0.00000000 32 0.00000000 0.00000000 0.13152368 0.76093628 0.00000000 33 0.66256442 0.00260275 0.00000000 0.00000000 -1.35506844 34 0.00000000 0.00000000 -0.11030833 -0.63819391 0.00000000 35 0.00000000 0.00000000 0.00000000 0.00000000 -1.34867208 36 0.00000000 0.00000000 0.00000000 0.00000000 1.92551366 37 0.00000000 0.00000000 0.00000000 0.00000000 -0.56251222 38 0.00000000 0.00000000 0.00000000 0.00000000 -1.06211414 39 0.00000000 0.00000000 0.00000000 0.00000000 -0.39062765 40 0.00000000 0.00000000 -0.25466778 0.04401793 0.00000000 41 0.00000000 0.00000000 -0.04401793 -0.25466778 0.00000000 42 0.00000000 0.00000000 0.00000000 0.00000000 -1.45471542 43 0.00000000 0.00000000 0.70634027 -0.12208706 0.00000000 44 0.00000000 0.00000000 0.12208706 0.70634027 0.00000000 45 0.00000000 0.00000000 0.00000000 0.00000000 4.54597110 46 0.00000000 0.00000000 -0.02030732 0.00351001 0.00000000 47 0.00000000 0.00000000 -0.00351001 -0.02030732 0.00000000 48 0.00000000 0.00000000 0.00000000 0.00000000 -0.47140431 49 0.02097290 0.00008239 0.00000000 0.00000000 0.15493386 50 0.00009513 -0.02421742 0.00000000 0.00000000 0.00000000 51 0.00000000 0.00000000 -0.11983842 0.02071342 0.00000000 52 -0.02097290 -0.00008239 0.00000000 0.00000000 0.15493386 53 0.00000000 0.00000000 -0.02071342 -0.11983842 0.00000000 54 0.00000000 0.00000000 0.00000000 0.00000000 -0.30041120 55 0.01160715 0.00004560 0.00000000 0.00000000 0.04254300 56 0.00005265 -0.01340278 0.00000000 0.00000000 0.00000000 57 0.00000000 0.00000000 -0.06060486 0.01047522 0.00000000 58 -0.01160715 -0.00004560 0.00000000 0.00000000 0.04254300 59 0.00000000 0.00000000 -0.01047522 -0.06060486 0.00000000 60 0.00000000 0.00000000 0.00000000 0.00000000 -0.21648324 61 0.00000000 0.00000000 -0.75039023 0.12970085 0.00000000 62 0.00000000 0.00000000 -0.05800399 -0.33558471 0.00000000 63 -0.56345863 -0.00221343 0.00000000 0.00000000 -1.34593785 64 0.00000000 0.00000000 -0.33558471 0.05800399 0.00000000 65 -0.00255585 0.65062598 0.00000000 0.00000000 0.00000000 66 0.00000000 0.00000000 0.60744796 -0.10499406 0.00000000 67 0.00000000 0.00000000 -0.12970085 -0.75039023 0.00000000 68 0.56345863 0.00221343 0.00000000 0.00000000 -1.34593785 69 0.00000000 0.00000000 0.10499406 0.60744796 0.00000000 70 0.00000000 0.00000000 0.00000000 0.00000000 -1.35509326 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 -0.00228497 0.02377547 0.00000000 0.00000000 0.00000000 6 -0.02377547 -0.00228497 0.00000000 0.00000000 0.00000000 7 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 8 0.00932210 -0.09699801 0.00000000 0.00000000 0.00000000 9 0.09699801 0.00932210 0.00000000 0.00000000 0.00000000 10 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 11 0.00255713 -0.02660739 0.00000000 0.00000000 0.00000000 12 0.02660739 0.00255713 0.00000000 0.00000000 0.00000000 13 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 14 0.00000000 0.00000000 -0.58186703 0.02806362 -0.88513074 15 0.00000000 0.00000000 0.03240508 0.67188217 0.00347307 16 0.07751019 -0.80650646 0.00000000 0.00000000 0.00000000 17 0.00000000 0.00000000 0.58186703 -0.02806362 0.88513074 18 0.80650646 0.07751019 0.00000000 0.00000000 0.00000000 19 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 20 0.00000000 0.00000000 0.26810371 -0.01293072 0.44116814 21 0.00000000 0.00000000 -0.01493111 -0.30957950 -0.00173105 22 -0.03320486 0.34550209 0.00000000 0.00000000 0.00000000 23 0.00000000 0.00000000 -0.26810371 0.01293072 -0.44116814 24 -0.34550209 -0.03320486 0.00000000 0.00000000 0.00000000 25 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 26 -0.00897968 0.09343511 0.00000000 0.00000000 0.00000000 27 -0.04178545 -0.00401584 0.00000000 0.00000000 0.00000000 28 0.00000000 0.00000000 -0.02677050 0.00129115 0.02003590 29 -0.00401584 0.04178545 0.00000000 0.00000000 0.00000000 30 0.00000000 0.00000000 0.00149089 0.03091191 -0.00007862 31 0.00467422 -0.04863606 0.00000000 0.00000000 0.00000000 32 -0.09343511 -0.00897968 0.00000000 0.00000000 0.00000000 33 0.00000000 0.00000000 0.02677050 -0.00129115 -0.02003590 34 0.04863606 0.00467422 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 -0.00269872 0.02808058 0.00000000 0.00000000 0.00000000 41 -0.02808058 -0.00269872 0.00000000 0.00000000 0.00000000 42 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 43 0.01131830 -0.11776880 0.00000000 0.00000000 0.00000000 44 0.11776880 0.01131830 0.00000000 0.00000000 0.00000000 45 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 46 0.00098164 -0.01021412 0.00000000 0.00000000 0.00000000 47 0.01021412 0.00098164 0.00000000 0.00000000 0.00000000 48 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 49 0.00000000 0.00000000 -0.87740186 0.04231736 0.59312988 50 0.00000000 0.00000000 0.04886388 1.01313640 -0.00232732 51 -0.08535362 0.88811863 0.00000000 0.00000000 0.00000000 52 0.00000000 0.00000000 0.87740186 -0.04231736 -0.59312988 53 -0.88811863 -0.08535362 0.00000000 0.00000000 0.00000000 54 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 55 0.00000000 0.00000000 0.41901120 -0.02020904 -0.30512425 56 0.00000000 0.00000000 -0.02333539 -0.48383246 0.00119724 57 0.03857078 -0.40133540 0.00000000 0.00000000 0.00000000 58 0.00000000 0.00000000 -0.41901120 0.02020904 0.30512425 59 0.40133540 0.03857078 0.00000000 0.00000000 0.00000000 60 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 61 -0.00855867 0.08905439 0.00000000 0.00000000 0.00000000 62 -0.03982633 -0.00382755 0.00000000 0.00000000 0.00000000 63 0.00000000 0.00000000 0.01638488 -0.00079025 0.02807796 64 -0.00382755 0.03982633 0.00000000 0.00000000 0.00000000 65 0.00000000 0.00000000 -0.00091250 -0.01891963 -0.00011017 66 0.00240982 -0.02507458 0.00000000 0.00000000 0.00000000 67 -0.08905439 -0.00855867 0.00000000 0.00000000 0.00000000 68 0.00000000 0.00000000 -0.01638488 0.00079025 -0.02807796 69 0.02507458 0.00240982 0.00000000 0.00000000 0.00000000 70 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 56 57 58 59 60 1 0.00000000 -0.49079446 0.00000000 0.00000000 4.18439910 2 0.00000000 0.18429818 0.00000000 0.00000000 -0.57792679 3 0.00000000 0.37766723 0.00000000 0.00000000 -3.93418944 4 0.00000000 0.15503891 0.00000000 0.00000000 -1.03751862 5 0.00000000 0.00000000 0.04636636 0.01416196 0.00000000 6 0.00000000 0.00000000 -0.01416196 0.04636636 0.00000000 7 0.00000000 0.31855340 0.00000000 0.00000000 0.55139205 8 0.00000000 0.00000000 -0.19873140 -0.06069975 0.00000000 9 0.00000000 0.00000000 0.06069975 -0.19873140 0.00000000 10 0.00000000 -1.58952977 0.00000000 0.00000000 -1.62415765 11 0.00000000 0.00000000 0.15583262 0.04759692 0.00000000 12 0.00000000 0.00000000 -0.04759692 0.15583262 0.00000000 13 0.00000000 0.19273761 0.00000000 0.00000000 -0.73422182 14 0.00300777 0.39686766 0.00000000 0.00000000 -0.57859838 15 1.02206094 0.00000000 0.00000000 0.00000000 0.00000000 16 0.00000000 0.00000000 -0.89284644 -0.27270758 0.00000000 17 -0.00300777 0.39686766 0.00000000 0.00000000 -0.57859838 18 0.00000000 0.00000000 0.27270758 -0.89284644 0.00000000 19 0.00000000 -0.88937161 0.00000000 0.00000000 0.75240094 20 -0.00149913 -0.30934531 0.00000000 0.00000000 0.81050494 21 -0.50941709 0.00000000 0.00000000 0.00000000 0.00000000 22 0.00000000 0.00000000 0.56565547 0.17277163 0.00000000 23 0.00149913 -0.30934531 0.00000000 0.00000000 0.81050494 24 0.00000000 0.00000000 -0.17277163 0.56565547 0.00000000 25 0.00000000 0.32691042 0.00000000 0.00000000 -0.70827961 26 0.00000000 0.00000000 -0.02594963 -0.00792595 0.00000000 27 0.00000000 0.00000000 0.00354459 -0.01160503 0.00000000 28 -0.00006808 0.33111144 0.00000000 0.00000000 0.57274507 29 0.00000000 0.00000000 -0.01160503 -0.00354459 0.00000000 30 -0.02313547 0.00000000 0.00000000 0.00000000 0.00000000 31 0.00000000 0.00000000 0.19089190 0.05830529 0.00000000 32 0.00000000 0.00000000 0.00792595 -0.02594963 0.00000000 33 0.00006808 0.33111144 0.00000000 0.00000000 0.57274507 34 0.00000000 0.00000000 -0.05830529 0.19089190 0.00000000 35 0.00000000 0.76904920 0.00000000 0.00000000 0.44125908 36 0.00000000 -0.62520934 0.00000000 0.00000000 -4.76180766 37 0.00000000 0.19950749 0.00000000 0.00000000 0.70348418 38 0.00000000 0.51857826 0.00000000 0.00000000 4.31865735 39 0.00000000 0.18829396 0.00000000 0.00000000 1.19027409 40 0.00000000 0.00000000 -0.04369977 -0.01334749 0.00000000 41 0.00000000 0.00000000 0.01334749 -0.04369977 0.00000000 42 0.00000000 -0.28430249 0.00000000 0.00000000 0.57479594 43 0.00000000 0.00000000 0.18841827 0.05754975 0.00000000 44 0.00000000 0.00000000 -0.05754975 0.18841827 0.00000000 45 0.00000000 1.50454861 0.00000000 0.00000000 -1.76079964 46 0.00000000 0.00000000 -0.15722667 -0.04802271 0.00000000 47 0.00000000 0.00000000 0.04802271 -0.15722667 0.00000000 48 0.00000000 -0.22708479 0.00000000 0.00000000 -0.71983148 49 -0.00201552 0.41638487 0.00000000 0.00000000 0.58821140 50 -0.68488740 0.00000000 0.00000000 0.00000000 0.00000000 51 0.00000000 0.00000000 -0.81793686 -0.24982749 0.00000000 52 0.00201552 0.41638487 0.00000000 0.00000000 0.58821140 53 0.00000000 0.00000000 0.24982749 -0.81793686 0.00000000 54 0.00000000 -0.92049998 0.00000000 0.00000000 -0.69416491 55 0.00103684 -0.34228352 0.00000000 0.00000000 -0.84145204 56 0.35232713 0.00000000 0.00000000 0.00000000 0.00000000 57 0.00000000 0.00000000 0.53397778 0.16309612 0.00000000 58 -0.00103684 -0.34228352 0.00000000 0.00000000 -0.84145204 59 0.00000000 0.00000000 -0.16309612 0.53397778 0.00000000 60 0.00000000 0.36871344 0.00000000 0.00000000 0.65586075 61 0.00000000 0.00000000 0.03327778 0.01016424 0.00000000 62 0.00000000 0.00000000 -0.00454559 0.01488228 0.00000000 63 -0.00009541 -0.29902760 0.00000000 0.00000000 0.60554237 64 0.00000000 0.00000000 0.01488228 0.00454559 0.00000000 65 -0.03242164 0.00000000 0.00000000 0.00000000 0.00000000 66 0.00000000 0.00000000 -0.19223035 -0.05871410 0.00000000 67 0.00000000 0.00000000 -0.01016424 0.03327778 0.00000000 68 0.00009541 -0.29902760 0.00000000 0.00000000 0.60554237 69 0.00000000 0.00000000 0.05871410 -0.19223035 0.00000000 70 0.00000000 -0.75645689 0.00000000 0.00000000 0.51244535 61 62 63 64 65 1 9.24215825 0.00000000 0.00000000 0.00000000 0.00000000 2 -2.02108888 0.00000000 0.00000000 0.00000000 0.00000000 3 -6.16246652 0.00000000 0.00000000 0.00000000 0.00000000 4 -2.49008382 0.00000000 0.00000000 0.00000000 0.00000000 5 0.00000000 0.03158443 0.34314961 -0.59270522 1.22962177 6 0.00000000 0.34314961 -0.03158443 1.22962177 0.59270522 7 0.29299936 0.00000000 0.00000000 0.00000000 0.00000000 8 0.00000000 -0.23504217 -2.55361955 3.83443653 -7.95489303 9 0.00000000 -2.55361955 0.23504217 -7.95489303 -3.83443653 10 -1.71808162 0.00000000 0.00000000 0.00000000 0.00000000 11 0.00000000 0.01321859 0.14361359 -0.29809104 0.61841742 12 0.00000000 0.14361359 -0.01321859 0.61841742 0.29809104 13 0.08025904 0.00000000 0.00000000 0.00000000 0.00000000 14 -0.42898176 0.00000000 0.00000000 0.00000000 0.00000000 15 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 16 0.00000000 0.00022477 0.00244206 -0.00045271 0.00093920 17 -0.42898176 0.00000000 0.00000000 0.00000000 0.00000000 18 0.00000000 0.00244206 -0.00022477 0.00093920 0.00045271 19 -0.27496579 0.00000000 0.00000000 0.00000000 0.00000000 20 0.65695760 0.00000000 0.00000000 0.00000000 0.00000000 21 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 22 0.00000000 0.00063616 0.00691160 0.00128273 -0.00266114 23 0.65695760 0.00000000 0.00000000 0.00000000 0.00000000 24 0.00000000 0.00691160 -0.00063616 -0.00266114 -0.00128273 25 0.50098907 0.00000000 0.00000000 0.00000000 0.00000000 26 0.00000000 0.13280486 1.44286058 -2.14327429 4.44642063 27 0.00000000 0.64526687 -0.05939214 1.98849976 0.95850140 28 0.47465889 0.00000000 0.00000000 0.00000000 0.00000000 29 0.00000000 0.05939214 0.64526687 -0.95850140 1.98849976 30 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 31 0.00000000 0.06434197 0.69904440 -0.94683566 1.96429811 32 0.00000000 1.44286058 -0.13280486 4.44642063 2.14327429 33 0.47465889 0.00000000 0.00000000 0.00000000 0.00000000 34 0.00000000 0.69904440 -0.06434197 1.96429811 0.94683566 35 0.89243939 0.00000000 0.00000000 0.00000000 0.00000000 36 10.35649059 0.00000000 0.00000000 0.00000000 0.00000000 37 -2.29750369 0.00000000 0.00000000 0.00000000 0.00000000 38 -6.80885816 0.00000000 0.00000000 0.00000000 0.00000000 39 -2.75224137 0.00000000 0.00000000 0.00000000 0.00000000 40 0.00000000 0.12054643 1.30967873 0.23765372 -0.49303462 41 0.00000000 1.30967873 -0.12054643 -0.49303462 -0.23765372 42 -0.34285215 0.00000000 0.00000000 0.00000000 0.00000000 43 0.00000000 -0.79308368 -8.61647098 -1.41436237 2.93422549 44 0.00000000 -8.61647098 0.79308368 2.93422549 1.41436237 45 2.31532571 0.00000000 0.00000000 0.00000000 0.00000000 46 0.00000000 0.05870052 0.63775281 0.12906209 -0.26775124 47 0.00000000 0.63775281 -0.05870052 -0.26775124 -0.12906209 48 -0.23907242 0.00000000 0.00000000 0.00000000 0.00000000 49 -0.43035061 0.00000000 0.00000000 0.00000000 0.00000000 50 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 51 0.00000000 -0.00022307 -0.00242357 0.00046878 -0.00097252 52 -0.43035061 0.00000000 0.00000000 0.00000000 0.00000000 53 0.00000000 -0.00242357 0.00022307 -0.00097252 -0.00046878 54 -0.43344625 0.00000000 0.00000000 0.00000000 0.00000000 55 0.67661845 0.00000000 0.00000000 0.00000000 0.00000000 56 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 57 0.00000000 -0.00015377 -0.00167066 0.00320355 -0.00664606 58 0.67661845 0.00000000 0.00000000 0.00000000 0.00000000 59 0.00000000 -0.00167066 0.00015377 -0.00664606 -0.00320355 60 0.71020516 0.00000000 0.00000000 0.00000000 0.00000000 61 0.00000000 0.44390825 4.82284866 0.78473148 -1.62799799 62 0.00000000 2.15684349 -0.19852181 -0.72806283 -0.35094259 63 -0.59699708 0.00000000 0.00000000 0.00000000 0.00000000 64 0.00000000 0.19852181 2.15684349 0.35094259 -0.72806283 65 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 66 0.00000000 0.19948218 2.16727748 0.32556747 -0.67541981 67 0.00000000 4.82284866 -0.44390825 -1.62799799 -0.78473148 68 -0.59699708 0.00000000 0.00000000 0.00000000 0.00000000 69 0.00000000 2.16727748 -0.19948218 -0.67541981 -0.32556747 70 -1.29155323 0.00000000 0.00000000 0.00000000 0.00000000 66 67 68 69 70 1 3.73016304 -1.14114760 9.10166867 -54.24645214 -56.20369638 2 -0.86706133 0.34170716 -1.94509406 26.27398943 27.10082191 3 -2.41652804 0.75630370 -5.71787164 31.81314207 33.52238597 4 -0.77666281 0.26520623 -2.44145820 15.35737867 15.60866934 5 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 6 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 7 1.25794354 -0.61920543 -1.49969045 0.07459847 0.46252945 8 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 9 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 10 -7.13382635 4.81310434 6.89931218 -0.36162145 -1.57179628 11 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 12 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 13 0.73089254 -0.49003235 -0.25867380 -0.00872002 0.19487920 14 -0.08679426 0.02040481 -0.29671942 -3.51502471 -3.61137473 15 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 16 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 17 -0.08679426 0.02040481 -0.29671942 -3.51502471 -3.61137473 18 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 19 -0.21278722 0.07053073 -0.88584351 -3.48111989 -3.55842618 20 0.22307616 -0.02550054 0.37243146 -3.27624636 -3.42061950 21 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 22 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 23 0.22307616 -0.02550054 0.37243146 -3.27624636 -3.42061950 24 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 25 0.19266403 -0.36388339 1.24219582 -3.19980212 -3.70195852 26 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 27 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 28 1.74371588 -1.15529014 -1.79303311 0.06844999 0.38584333 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 1.74371588 -1.15529014 -1.79303311 0.06844999 0.38584333 34 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 35 3.76499373 -2.93326027 -3.28029715 0.24737081 0.58405126 36 -1.75053462 5.56136457 -6.09654370 -55.40894541 55.05451942 37 0.44715745 -1.13012605 1.36409584 26.83511877 -26.54488919 38 1.12869814 -3.45891008 3.83285642 32.50728789 -32.84892024 39 0.24305293 -1.49143072 1.61770328 15.68003497 -15.28329994 40 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 41 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 42 1.37057093 1.35836816 -0.72291505 -0.08436828 0.46100102 43 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 44 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 45 -7.78728995 -7.43639673 2.07962908 0.39476107 -1.56443076 46 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 47 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 48 0.77918182 0.43663943 0.10414400 0.00458580 0.19507854 49 0.00502092 -0.18104497 0.17987036 -3.58989584 3.53713368 50 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 51 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 52 0.00502092 -0.18104497 0.17987036 -3.58989584 3.53713368 53 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 54 0.10605451 -0.58479436 0.62308497 -3.55492999 3.48490664 55 -0.09894652 0.23773069 -0.21129496 -3.34732938 3.35152144 56 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 57 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 58 -0.09894652 0.23773069 -0.21129496 -3.34732938 3.35152144 59 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 60 -0.07059366 0.62309095 -1.06467681 -3.27676093 3.63437613 61 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 62 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 63 1.89934377 1.88049421 -0.60105430 -0.07657634 0.38442614 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 1.89934377 1.88049421 -0.60105430 -0.07657634 0.38442614 69 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 70 4.13667158 3.93855442 -0.57174456 -0.25969333 0.57904388 ----------------------------------------- UHF spin-down orbital coefficients ----------------------------------------- 1 2 3 4 5 1 0.97512689 -0.27203192 -0.09374037 0.12417328 0.00000000 2 -0.00798204 -0.01316225 -0.24947866 -0.08518435 0.00000000 3 -0.00864546 0.07676250 2.51157783 0.79496328 0.00000000 4 0.00005654 -0.47422150 -2.12766799 -1.24424821 0.00000000 5 0.00000000 0.00000000 0.00000000 0.00000000 -0.45741525 6 0.00000000 0.00000000 0.00000000 0.00000000 -0.30680383 7 0.00089850 -0.01128029 0.02567261 -0.15098850 0.00000000 8 0.00000000 0.00000000 0.00000000 0.00000000 1.64698156 9 0.00000000 0.00000000 0.00000000 0.00000000 1.10468605 10 -0.00207210 0.05524014 -0.08851835 0.54335731 0.00000000 11 0.00000000 0.00000000 0.00000000 0.00000000 -0.91985759 12 0.00000000 0.00000000 0.00000000 0.00000000 -0.61697949 13 0.00706842 0.01729141 0.05901738 -0.29110053 0.00000000 14 0.00078836 -0.00060995 -0.02225308 -0.00462471 0.00000000 15 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 16 0.00000000 0.00000000 0.00000000 0.00000000 -0.00125724 17 0.00078836 -0.00060995 -0.02225308 -0.00462471 0.00000000 18 0.00000000 0.00000000 0.00000000 0.00000000 -0.00084328 19 0.00070130 -0.00133643 -0.02175576 -0.00790109 0.00000000 20 0.00044379 -0.01179917 -0.26151439 -0.08064924 0.00000000 21 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 22 0.00000000 0.00000000 0.00000000 0.00000000 0.00684124 23 0.00044379 -0.01179917 -0.26151439 -0.08064924 0.00000000 24 0.00000000 0.00000000 0.00000000 0.00000000 0.00458865 25 0.00211825 -0.00292861 -0.27360847 -0.05724950 0.00000000 26 0.00000000 0.00000000 0.00000000 0.00000000 -0.66690709 27 0.00000000 0.00000000 0.00000000 0.00000000 -0.20004627 28 0.00040316 -0.00884028 0.01398520 -0.09817707 0.00000000 29 0.00000000 0.00000000 0.00000000 0.00000000 -0.29824992 30 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 31 0.00000000 0.00000000 0.00000000 0.00000000 -0.29553494 32 0.00000000 0.00000000 0.00000000 0.00000000 -0.44731706 33 0.00040316 -0.00884028 0.01398520 -0.09817707 0.00000000 34 0.00000000 0.00000000 0.00000000 0.00000000 -0.19822524 35 0.00132107 -0.01818889 0.03519503 -0.21605943 0.00000000 36 0.16622984 0.73954488 -0.06280516 -0.07800807 0.00000000 37 -0.01346902 0.02715756 -0.07799482 0.35621589 0.00000000 38 -0.03966621 -0.76300565 0.73001531 -2.82601982 0.00000000 39 -0.02656260 1.07365477 0.03447533 2.29798584 0.00000000 40 0.00000000 0.00000000 0.00000000 0.00000000 -0.34792519 41 0.00000000 0.00000000 0.00000000 0.00000000 -0.23336515 42 -0.00178888 -0.01857178 -0.10203139 -0.02870068 0.00000000 43 0.00000000 0.00000000 0.00000000 0.00000000 1.26147413 44 0.00000000 0.00000000 0.00000000 0.00000000 0.84611322 45 -0.00019269 0.07132934 0.37398664 0.10514922 0.00000000 46 0.00000000 0.00000000 0.00000000 0.00000000 -0.64435650 47 0.00000000 0.00000000 0.00000000 0.00000000 -0.43219162 48 -0.01206147 -0.02832336 -0.16907037 -0.05131212 0.00000000 49 0.00052394 0.00822849 -0.00784036 0.02223542 0.00000000 50 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 51 0.00000000 0.00000000 0.00000000 0.00000000 0.00113960 52 0.00052394 0.00822849 -0.00784036 0.02223542 0.00000000 53 0.00000000 0.00000000 0.00000000 0.00000000 0.00076437 54 0.00066630 0.00835268 -0.00513792 0.02334802 0.00000000 55 0.00052289 0.07700088 -0.07674272 0.30075911 0.00000000 56 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 57 0.00000000 0.00000000 0.00000000 0.00000000 -0.00680897 58 0.00052289 0.07700088 -0.07674272 0.30075911 0.00000000 59 0.00000000 0.00000000 0.00000000 0.00000000 -0.00456701 60 0.00326555 0.07648308 -0.10204765 0.30285356 0.00000000 61 0.00000000 0.00000000 0.00000000 0.00000000 -0.50976399 62 0.00000000 0.00000000 0.00000000 0.00000000 -0.15290943 63 -0.00034974 -0.01304272 -0.06588119 -0.02152940 0.00000000 64 0.00000000 0.00000000 0.00000000 0.00000000 -0.22797339 65 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 66 0.00000000 0.00000000 0.00000000 0.00000000 -0.22435114 67 0.00000000 0.00000000 0.00000000 0.00000000 -0.34191589 68 -0.00034974 -0.01304272 -0.06588119 -0.02152940 0.00000000 69 0.00000000 0.00000000 0.00000000 0.00000000 -0.15047987 70 -0.00168457 -0.02800540 -0.14651562 -0.04193804 0.00000000 6 7 8 9 10 1 0.00000000 0.07715675 0.00000000 0.00000000 -0.55802288 2 0.00000000 0.07011647 0.00000000 0.00000000 -0.01150768 3 0.00000000 -0.74291431 0.00000000 0.00000000 0.31623788 4 0.00000000 0.31594172 0.00000000 0.00000000 -0.97170106 5 -0.30680383 0.00000000 -0.05759337 -0.47856961 0.00000000 6 0.45741525 0.00000000 -0.47856961 0.05759337 0.00000000 7 0.00000000 0.49238193 0.00000000 0.00000000 -0.70425349 8 1.10468605 0.00000000 0.20890586 1.73589412 0.00000000 9 -1.64698156 0.00000000 1.73589412 -0.20890586 0.00000000 10 0.00000000 -1.78086555 0.00000000 0.00000000 2.58655809 11 -0.61697949 0.00000000 -0.12916666 -1.07330469 0.00000000 12 0.91985759 0.00000000 -1.07330469 0.12916666 0.00000000 13 0.00000000 1.04794387 0.00000000 0.00000000 -2.07318660 14 0.00000000 0.00446021 0.00000000 0.00000000 -0.01249849 15 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 16 -0.00084328 0.00000000 -0.00013566 -0.00112724 0.00000000 17 0.00000000 0.00446021 0.00000000 0.00000000 -0.01249849 18 0.00125724 0.00000000 -0.00112724 0.00013566 0.00000000 19 0.00000000 0.00605592 0.00000000 0.00000000 -0.00727043 20 0.00000000 0.08159634 0.00000000 0.00000000 -0.05528766 21 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 22 0.00458865 0.00000000 0.00083208 0.00691416 0.00000000 23 0.00000000 0.08159634 0.00000000 0.00000000 -0.05528766 24 -0.00684124 0.00000000 0.00691416 -0.00083208 0.00000000 25 0.00000000 0.04235717 0.00000000 0.00000000 -0.11716648 26 -0.44731706 0.00000000 -0.08317640 -0.69115067 0.00000000 27 0.29824992 0.00000000 -0.30909198 0.03719762 0.00000000 28 0.00000000 0.31424988 0.00000000 0.00000000 -0.44994033 29 -0.20004627 0.00000000 -0.03719762 -0.30909198 0.00000000 30 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 31 -0.19822524 0.00000000 -0.03780831 -0.31416652 0.00000000 32 0.66690709 0.00000000 -0.69115067 0.08317640 0.00000000 33 0.00000000 0.31424988 0.00000000 0.00000000 -0.44994033 34 0.29553494 0.00000000 -0.31416652 0.03780831 0.00000000 35 0.00000000 0.71392312 0.00000000 0.00000000 -1.01298427 36 0.00000000 -0.00018613 0.00000000 0.00000000 0.36117601 37 0.00000000 0.12725271 0.00000000 0.00000000 -0.09584661 38 0.00000000 -1.05763100 0.00000000 0.00000000 0.18087158 39 0.00000000 0.39276644 0.00000000 0.00000000 0.91547417 40 -0.23336515 0.00000000 0.08013911 0.66591245 0.00000000 41 0.34792519 0.00000000 0.66591245 -0.08013911 0.00000000 42 0.00000000 -0.45345309 0.00000000 0.00000000 -0.80442212 43 0.84611322 0.00000000 -0.29244267 -2.43003961 0.00000000 44 -1.26147413 0.00000000 -2.43003961 0.29244267 0.00000000 45 0.00000000 1.65230919 0.00000000 0.00000000 2.96605158 46 -0.43219162 0.00000000 0.16666175 1.38486852 0.00000000 47 0.64435650 0.00000000 1.38486852 -0.16666175 0.00000000 48 0.00000000 -0.86527985 0.00000000 0.00000000 -2.21777294 49 0.00000000 0.00556074 0.00000000 0.00000000 0.00829737 50 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 51 0.00076437 0.00000000 -0.00011355 -0.00094357 0.00000000 52 0.00000000 0.00556074 0.00000000 0.00000000 0.00829737 53 -0.00113960 0.00000000 -0.00094357 0.00011355 0.00000000 54 0.00000000 0.00809874 0.00000000 0.00000000 0.00333997 55 0.00000000 0.11478473 0.00000000 0.00000000 -0.01297645 56 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 57 -0.00456701 0.00000000 0.00054776 0.00455160 0.00000000 58 0.00000000 0.11478473 0.00000000 0.00000000 -0.01297645 59 0.00680897 0.00000000 0.00455160 -0.00054776 0.00000000 60 0.00000000 0.06981320 0.00000000 0.00000000 0.04264906 61 -0.34191589 0.00000000 0.11631798 0.96653915 0.00000000 62 0.22797339 0.00000000 0.43224945 -0.05201898 0.00000000 63 0.00000000 -0.29047658 0.00000000 0.00000000 -0.51471189 64 -0.15290943 0.00000000 0.05201898 0.43224945 0.00000000 65 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 66 -0.15047987 0.00000000 0.05249903 0.43623841 0.00000000 67 0.50976399 0.00000000 0.96653915 -0.11631798 0.00000000 68 0.00000000 -0.29047658 0.00000000 0.00000000 -0.51471189 69 0.22435114 0.00000000 0.43623841 -0.05249903 0.00000000 70 0.00000000 -0.65955113 0.00000000 0.00000000 -1.15871396 11 12 13 14 15 1 2.71296868 0.65738912 0.13088072 0.00000000 0.00000000 2 1.41067557 0.54526304 0.00298573 0.00000000 0.00000000 3 -6.87306795 -2.46447417 -0.04134695 0.00000000 0.00000000 4 0.63328527 0.39618812 -0.01073602 0.00000000 0.00000000 5 0.00000000 0.00000000 0.00000000 -0.04549221 -1.71840227 6 0.00000000 0.00000000 0.00000000 -1.71840227 0.04549221 7 -0.18978349 -0.09441589 1.40489778 0.00000000 0.00000000 8 0.00000000 0.00000000 0.00000000 0.17213713 6.50222988 9 0.00000000 0.00000000 0.00000000 6.50222988 -0.17213713 10 0.71814694 0.37162559 -5.37494824 0.00000000 0.00000000 11 0.00000000 0.00000000 0.00000000 -0.03301259 -1.24700267 12 0.00000000 0.00000000 0.00000000 -1.24700267 0.03301259 13 -0.51655311 -0.68854333 1.15121837 0.00000000 0.00000000 14 0.05575752 0.00793277 -0.01414956 0.00000000 0.00000000 15 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 16 0.00000000 0.00000000 0.00000000 -0.00135885 -0.05132859 17 0.05575752 0.00793277 -0.01414956 0.00000000 0.00000000 18 0.00000000 0.00000000 0.00000000 -0.05132859 0.00135885 19 0.05389020 0.02241830 0.01429344 0.00000000 0.00000000 20 0.96489973 0.33753098 0.06608696 0.00000000 0.00000000 21 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 22 0.00000000 0.00000000 0.00000000 0.00970743 0.36668416 23 0.96489973 0.33753098 0.06608696 0.00000000 0.00000000 24 0.00000000 0.00000000 0.00000000 0.36668416 -0.00970743 25 1.01078034 0.19703438 -0.30698043 0.00000000 0.00000000 26 0.00000000 0.00000000 0.00000000 -0.06742406 -2.54684594 27 0.00000000 0.00000000 0.00000000 -1.13898413 0.03015296 28 -0.11603190 -0.05339071 0.91241046 0.00000000 0.00000000 29 0.00000000 0.00000000 0.00000000 -0.03015296 -1.13898413 30 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 31 0.00000000 0.00000000 0.00000000 -0.02965740 -1.12026522 32 0.00000000 0.00000000 0.00000000 -2.54684594 0.06742406 33 -0.11603190 -0.05339071 0.91241046 0.00000000 0.00000000 34 0.00000000 0.00000000 0.00000000 -1.12026522 0.02965740 35 -0.26786159 -0.14687328 2.06661396 0.00000000 0.00000000 36 0.82664809 -2.78776192 0.16067865 0.00000000 0.00000000 37 0.20030995 -1.47880416 0.03352817 0.00000000 0.00000000 38 -1.16082559 7.15085312 -0.14053001 0.00000000 0.00000000 39 -0.02466687 -0.68723646 -0.07615778 0.00000000 0.00000000 40 0.00000000 0.00000000 0.00000000 -0.02836794 -1.07155785 41 0.00000000 0.00000000 0.00000000 -1.07155785 0.02836794 42 -0.07410548 -0.20136022 -1.26961263 0.00000000 0.00000000 43 0.00000000 0.00000000 0.00000000 0.10640593 4.01932936 44 0.00000000 0.00000000 0.00000000 4.01932936 -0.10640593 45 0.28587307 0.77344513 4.83235947 0.00000000 0.00000000 46 0.00000000 0.00000000 0.00000000 -0.01849202 -0.69850904 47 0.00000000 0.00000000 0.00000000 -0.69850904 0.01849202 48 -0.55588587 -0.70633253 -0.94575081 0.00000000 0.00000000 49 0.02141150 -0.05549153 -0.01452339 0.00000000 0.00000000 50 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 51 0.00000000 0.00000000 0.00000000 0.00128126 0.04839787 52 0.02141150 -0.05549153 -0.01452339 0.00000000 0.00000000 53 0.00000000 0.00000000 0.00000000 0.04839787 -0.00128126 54 0.00759432 -0.06036105 0.01504214 0.00000000 0.00000000 55 0.18313753 -1.03741591 0.08210741 0.00000000 0.00000000 56 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 57 0.00000000 0.00000000 0.00000000 -0.00905672 -0.34210429 58 0.18313753 -1.03741591 0.08210741 0.00000000 0.00000000 59 0.00000000 0.00000000 0.00000000 -0.34210429 0.00905672 60 0.32706745 -1.01498838 -0.29532734 0.00000000 0.00000000 61 0.00000000 0.00000000 0.00000000 -0.04222694 -1.59506136 62 0.00000000 0.00000000 0.00000000 -0.71333312 0.01888446 63 -0.04429131 -0.12097138 -0.82424056 0.00000000 0.00000000 64 0.00000000 0.00000000 0.00000000 -0.01888446 -0.71333312 65 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 66 0.00000000 0.00000000 0.00000000 -0.01822442 -0.68840096 67 0.00000000 0.00000000 0.00000000 -1.59506136 0.04222694 68 -0.04429131 -0.12097138 -0.82424056 0.00000000 0.00000000 69 0.00000000 0.00000000 0.00000000 -0.68840096 0.01822442 70 -0.11868916 -0.29084249 -1.86716517 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 -1.26314866 0.28812349 -0.02950092 0.73966408 0.00000000 6 0.28812349 1.26314866 -0.73966408 -0.02950092 0.00000000 7 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 8 4.82303573 -1.10013170 0.11286488 -2.82981357 0.00000000 9 -1.10013170 -4.82303573 2.82981357 0.11286488 0.00000000 10 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 11 -0.90961927 0.20748364 -0.02825160 0.70834047 0.00000000 12 0.20748364 0.90961927 -0.70834047 -0.02825160 0.00000000 13 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 14 0.00000000 0.00000000 0.00000000 0.00000000 -0.10164475 15 0.00000000 0.00000000 0.00000000 0.00000000 0.00001818 16 0.07489742 -0.01708406 -0.00152063 0.03812599 0.00000000 17 0.00000000 0.00000000 0.00000000 0.00000000 0.10164475 18 -0.01708406 -0.07489742 -0.03812599 -0.00152063 0.00000000 19 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 20 0.00000000 0.00000000 0.00000000 0.00000000 0.72855270 21 0.00000000 0.00000000 0.00000000 0.00000000 -0.00013029 22 -0.54929680 0.12529429 0.01059762 -0.26570958 0.00000000 23 0.00000000 0.00000000 0.00000000 0.00000000 -0.72855270 24 0.12529429 0.54929680 0.26570958 0.01059762 0.00000000 25 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 26 -1.85942613 0.42413404 -0.04305755 1.07956373 0.00000000 27 0.18967851 0.83156064 -0.48279558 -0.01925592 0.00000000 28 0.00000000 0.00000000 0.00000000 0.00000000 0.00539010 29 -0.83156064 0.18967851 -0.01925592 0.48279558 0.00000000 30 0.00000000 0.00000000 0.00000000 0.00000000 -0.00000096 31 -0.84596197 0.19296344 -0.01980453 0.49655060 0.00000000 32 0.42413404 1.85942613 -1.07956373 -0.04305755 0.00000000 33 0.00000000 0.00000000 0.00000000 0.00000000 -0.00539010 34 0.19296344 0.84596197 -0.49655060 -0.01980453 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 0.32450656 -0.07401976 0.08025033 -2.01208286 0.00000000 41 -0.07401976 -0.32450656 2.01208286 0.08025033 0.00000000 42 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 43 -1.22507429 0.27943875 -0.30419917 7.62705775 0.00000000 44 0.27943875 1.22507429 -7.62705775 -0.30419917 0.00000000 45 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 46 0.39177537 -0.08936374 0.05866675 -1.47092673 0.00000000 47 -0.08936374 -0.39177537 1.47092673 0.05866675 0.00000000 48 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 49 0.00000000 0.00000000 0.00000000 0.00000000 -0.08114778 50 0.00000000 0.00000000 0.00000000 0.00000000 0.00001451 51 -0.07632476 0.01740964 0.00114776 -0.02877725 0.00000000 52 0.00000000 0.00000000 0.00000000 0.00000000 0.08114778 53 0.01740964 0.07632476 0.02877725 0.00114776 0.00000000 54 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 55 0.00000000 0.00000000 0.00000000 0.00000000 0.56186352 56 0.00000000 0.00000000 0.00000000 0.00000000 -0.00010048 57 0.53078960 -0.12107281 -0.00852817 0.21382312 0.00000000 58 0.00000000 0.00000000 0.00000000 0.00000000 -0.56186352 59 -0.12107281 -0.53078960 -0.21382312 -0.00852817 0.00000000 60 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 61 0.47364994 -0.10803928 0.11811663 -2.96148856 0.00000000 62 -0.04831664 -0.21182269 1.32441795 0.05282336 0.00000000 63 0.00000000 0.00000000 0.00000000 0.00000000 -0.00718122 64 0.21182269 -0.04831664 0.05282336 -1.32441795 0.00000000 65 0.00000000 0.00000000 0.00000000 0.00000000 0.00000128 66 0.21022827 -0.04795295 0.05329615 -1.33627205 0.00000000 67 -0.10803928 -0.47364994 2.96148856 0.11811663 0.00000000 68 0.00000000 0.00000000 0.00000000 0.00000000 0.00718122 69 -0.04795295 -0.21022827 1.33627205 0.05329615 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 0.24521693 0.16266735 2 0.00000000 0.00000000 0.00000000 -0.15153286 0.05433148 3 0.00000000 0.00000000 0.00000000 -0.09900845 0.25192571 4 0.00000000 0.00000000 0.00000000 0.66411912 -0.14011596 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 1.73071055 -0.97508112 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 -6.67208755 3.68773168 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 2.08083802 -0.70196424 14 -0.00001574 -0.07605660 0.00000698 0.02621103 -0.03779635 15 -0.11736925 0.00000806 0.08782260 0.00000000 0.00000000 16 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 17 0.00001574 0.07605660 -0.00000698 0.02621103 -0.03779635 18 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 19 0.00000000 0.00000000 0.00000000 0.00172997 0.07283364 20 0.00011283 0.58497651 -0.00005366 -0.01164840 0.26014909 21 0.84126019 -0.00006196 -0.67547270 0.00000000 0.00000000 22 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 23 -0.00011283 -0.58497651 0.00005366 -0.01164840 0.26014909 24 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 25 0.00000000 0.00000000 0.00000000 0.33944457 -0.70948834 26 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 27 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 28 0.00000083 -0.00880683 0.00000081 1.12373000 -0.65512605 29 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 30 0.00622395 0.00000093 0.01016925 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 -0.00000083 0.00880683 -0.00000081 1.12373000 -0.65512605 34 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 35 0.00000000 0.00000000 0.00000000 2.52937575 -1.42619082 36 0.00000000 0.00000000 0.00000000 -0.26809769 0.13800966 37 0.00000000 0.00000000 0.00000000 0.14404599 0.06700232 38 0.00000000 0.00000000 0.00000000 0.01692825 0.27222849 39 0.00000000 0.00000000 0.00000000 -0.62753740 -0.22220443 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 1.70615910 1.23961135 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 -6.54820732 -4.69470656 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 2.02862359 0.95100359 49 -0.00001257 0.10102400 -0.00000927 -0.01863890 -0.03967339 50 -0.09370138 -0.00001070 -0.11665247 0.00000000 0.00000000 51 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 52 0.00001257 -0.10102400 0.00000927 -0.01863890 -0.03967339 53 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 54 0.00000000 0.00000000 0.00000000 -0.01197448 0.07153894 55 0.00008702 -0.74810746 0.00006862 -0.01878291 0.25384206 56 0.64878411 0.00007923 0.86384009 0.00000000 0.00000000 57 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 58 -0.00008702 0.74810746 -0.00006862 -0.01878291 0.25384206 59 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 60 0.00000000 0.00000000 0.00000000 -0.19512911 -0.71316948 61 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 62 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 63 -0.00000111 -0.00682638 0.00000063 1.10404997 0.82556909 64 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 65 -0.00829215 0.00000072 0.00788243 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 0.00000111 0.00682638 -0.00000063 1.10404997 0.82556909 69 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 70 0.00000000 0.00000000 0.00000000 2.49076881 1.81349760 26 27 28 29 30 1 0.00000000 0.00000000 1.52400785 0.36247558 -0.49399609 2 0.00000000 0.00000000 0.07672926 0.45159356 0.51443993 3 0.00000000 0.00000000 -5.95860691 -2.83741105 0.86622388 4 0.00000000 0.00000000 0.44197213 0.26922020 -0.36172893 5 -0.26185163 0.10035463 0.00000000 0.00000000 0.00000000 6 -0.10035463 -0.26185163 0.00000000 0.00000000 0.00000000 7 0.00000000 0.00000000 -0.07881859 -0.13820256 -0.31186484 8 0.98238271 -0.37649816 0.00000000 0.00000000 0.00000000 9 0.37649816 0.98238271 0.00000000 0.00000000 0.00000000 10 0.00000000 0.00000000 0.31333913 0.54634588 0.96532059 11 -0.41332330 0.15840615 0.00000000 0.00000000 0.00000000 12 -0.15840615 -0.41332330 0.00000000 0.00000000 0.00000000 13 0.00000000 0.00000000 -0.44977936 -1.07691965 -1.09454585 14 0.00000000 0.00000000 0.08393356 -0.00628481 -0.09048938 15 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 16 0.09110079 -0.03491438 0.00000000 0.00000000 0.00000000 17 0.00000000 0.00000000 0.08393356 -0.00628481 -0.09048938 18 0.03491438 0.09110079 0.00000000 0.00000000 0.00000000 19 0.00000000 0.00000000 0.15536012 0.08179909 0.04412527 20 0.00000000 0.00000000 1.96458030 0.85830820 -0.14890961 21 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 22 -0.79667157 0.30532436 0.00000000 0.00000000 0.00000000 23 0.00000000 0.00000000 1.96458030 0.85830820 -0.14890961 24 -0.30532436 -0.79667157 0.00000000 0.00000000 0.00000000 25 0.00000000 0.00000000 1.31145466 -0.12353022 -1.53780527 26 -0.39657003 0.15198545 0.00000000 0.00000000 0.00000000 27 -0.06796996 -0.17735151 0.00000000 0.00000000 0.00000000 28 0.00000000 0.00000000 -0.05664914 -0.08561147 -0.24286279 29 -0.17735151 0.06796996 0.00000000 0.00000000 0.00000000 30 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 31 -0.13154229 0.05041358 0.00000000 0.00000000 0.00000000 32 -0.15198545 -0.39657003 0.00000000 0.00000000 0.00000000 33 0.00000000 0.00000000 -0.05664914 -0.08561147 -0.24286279 34 -0.05041358 -0.13154229 0.00000000 0.00000000 0.00000000 35 0.00000000 0.00000000 -0.07166505 -0.18657190 -0.36117885 36 0.00000000 0.00000000 0.64616675 -1.37882229 0.62044714 37 0.00000000 0.00000000 -0.27676017 -0.31965962 -0.55272670 38 0.00000000 0.00000000 -1.49539617 6.25559164 -1.26331085 39 0.00000000 0.00000000 0.03457428 -0.47627011 0.38284521 40 0.27024446 -0.10357118 0.00000000 0.00000000 0.00000000 41 0.10357118 0.27024446 0.00000000 0.00000000 0.00000000 42 0.00000000 0.00000000 -0.05049343 -0.15272988 -0.28617746 43 -1.01544136 0.38916788 0.00000000 0.00000000 0.00000000 44 -0.38916788 -1.01544136 0.00000000 0.00000000 0.00000000 45 0.00000000 0.00000000 0.21601605 0.60031744 0.89422208 46 0.41577007 -0.15934387 0.00000000 0.00000000 0.00000000 47 0.15934387 0.41577007 0.00000000 0.00000000 0.00000000 48 0.00000000 0.00000000 -0.46080511 -1.07564589 -1.09196793 49 0.00000000 0.00000000 0.04917065 -0.05247299 0.09837836 50 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 51 0.09852857 -0.03776107 0.00000000 0.00000000 0.00000000 52 0.00000000 0.00000000 0.04917065 -0.05247299 0.09837836 53 0.03776107 0.09852857 0.00000000 0.00000000 0.00000000 54 0.00000000 0.00000000 0.03891000 -0.17344703 -0.03805715 55 0.00000000 0.00000000 0.57280184 -2.03467538 0.28035237 56 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 57 -0.83232132 0.31898713 0.00000000 0.00000000 0.00000000 58 0.00000000 0.00000000 0.57280184 -2.03467538 0.28035237 59 -0.31898713 -0.83232132 0.00000000 0.00000000 0.00000000 60 0.00000000 0.00000000 0.78184849 -0.83204421 1.66956577 61 0.40765741 -0.15623469 0.00000000 0.00000000 0.00000000 62 0.06987028 0.18230994 0.00000000 0.00000000 0.00000000 63 0.00000000 0.00000000 -0.02292563 -0.10255731 -0.22460699 64 0.18230994 -0.06987028 0.00000000 0.00000000 0.00000000 65 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 66 0.13938885 -0.05342077 0.00000000 0.00000000 0.00000000 67 0.15623469 0.40765741 0.00000000 0.00000000 0.00000000 68 0.00000000 0.00000000 -0.02292563 -0.10255731 -0.22460699 69 0.05342077 0.13938885 0.00000000 0.00000000 0.00000000 70 0.00000000 0.00000000 -0.09763859 -0.17675255 -0.33257768 31 32 33 34 35 1 0.00000000 0.00000000 0.00000000 0.00000000 0.26506119 2 0.00000000 0.00000000 0.00000000 0.00000000 -0.04514984 3 0.00000000 0.00000000 0.00000000 0.00000000 -0.45254698 4 0.00000000 0.00000000 0.00000000 0.00000000 0.05765215 5 0.22194935 3.23346190 -0.20939334 2.57548631 0.00000000 6 3.23346190 -0.22194935 -2.57548631 -0.20939334 0.00000000 7 0.00000000 0.00000000 0.00000000 0.00000000 3.34126028 8 -0.68941404 -10.04370628 0.65669461 -8.07718129 0.00000000 9 -10.04370628 0.68941404 8.07718129 0.65669461 0.00000000 10 0.00000000 0.00000000 0.00000000 0.00000000 -10.39998983 11 0.06751113 0.98353376 -0.07598626 0.93461218 0.00000000 12 0.98353376 -0.06751113 -0.93461218 -0.07598626 0.00000000 13 0.00000000 0.00000000 0.00000000 0.00000000 1.12915420 14 0.00000000 0.00000000 0.00000000 0.00000000 0.01884220 15 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 16 -0.00020970 -0.00305501 -0.00058806 0.00723299 0.00000000 17 0.00000000 0.00000000 0.00000000 0.00000000 0.01884220 18 -0.00305501 0.00020970 -0.00723299 -0.00058806 0.00000000 19 0.00000000 0.00000000 0.00000000 0.00000000 -0.03396370 20 0.00000000 0.00000000 0.00000000 0.00000000 0.02260381 21 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 22 0.00199128 0.02900990 -0.00061517 0.00756645 0.00000000 23 0.00000000 0.00000000 0.00000000 0.00000000 0.02260381 24 0.02900990 -0.00199128 -0.00756645 -0.00061517 0.00000000 25 0.00000000 0.00000000 0.00000000 0.00000000 0.14385561 26 0.33415911 4.86818621 -0.30957393 3.80768276 0.00000000 27 2.17711906 -0.14944050 -1.70284750 -0.13844567 0.00000000 28 0.00000000 0.00000000 0.00000000 0.00000000 2.20289880 29 0.14944050 2.17711906 -0.13844567 1.70284750 0.00000000 30 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 31 0.14500945 2.11256550 -0.14434810 1.77544590 0.00000000 32 4.86818621 -0.33415911 -3.80768276 -0.30957393 0.00000000 33 0.00000000 0.00000000 0.00000000 0.00000000 2.20289880 34 2.11256550 -0.14500945 -1.77544590 -0.14434810 0.00000000 35 0.00000000 0.00000000 0.00000000 0.00000000 4.97895986 36 0.00000000 0.00000000 0.00000000 0.00000000 0.24922927 37 0.00000000 0.00000000 0.00000000 0.00000000 -0.06888895 38 0.00000000 0.00000000 0.00000000 0.00000000 -0.46052243 39 0.00000000 0.00000000 0.00000000 0.00000000 -0.05203465 40 0.15690153 2.28581492 0.27760418 -3.41446276 0.00000000 41 2.28581492 -0.15690153 3.41446276 0.27760418 0.00000000 42 0.00000000 0.00000000 0.00000000 0.00000000 -2.33071467 43 -0.48573486 -7.07641266 -0.86858045 10.68332479 0.00000000 44 -7.07641266 0.48573486 -10.68332479 -0.86858045 0.00000000 45 0.00000000 0.00000000 0.00000000 0.00000000 7.17499650 46 0.04420457 0.64399290 0.09579985 -1.17831441 0.00000000 47 0.64399290 -0.04420457 1.17831441 0.09579985 0.00000000 48 0.00000000 0.00000000 0.00000000 0.00000000 -0.72952630 49 0.00000000 0.00000000 0.00000000 0.00000000 0.02496787 50 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 51 0.00034764 0.00506452 -0.00048953 0.00602115 0.00000000 52 0.00000000 0.00000000 0.00000000 0.00000000 0.02496787 53 0.00506452 -0.00034764 -0.00602115 -0.00048953 0.00000000 54 0.00000000 0.00000000 0.00000000 0.00000000 -0.05486046 55 0.00000000 0.00000000 0.00000000 0.00000000 0.01394860 56 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 57 -0.00180959 -0.02636301 -0.00132604 0.01631002 0.00000000 58 0.00000000 0.00000000 0.00000000 0.00000000 0.01394860 59 -0.02636301 0.00180959 -0.01631002 -0.00132604 0.00000000 60 0.00000000 0.00000000 0.00000000 0.00000000 0.26524712 61 0.23819432 3.47012624 0.41369290 -5.08832039 0.00000000 62 1.55188763 -0.10652374 2.27556606 0.18500909 0.00000000 63 0.00000000 0.00000000 0.00000000 0.00000000 -1.55891413 64 0.10652374 1.55188763 0.18500909 -2.27556606 0.00000000 65 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 66 0.10100225 1.47144805 0.18871763 -2.32118025 0.00000000 67 3.47012624 -0.23819432 5.08832039 0.41369290 0.00000000 68 0.00000000 0.00000000 0.00000000 0.00000000 -1.55891413 69 1.47144805 -0.10100225 2.32118025 0.18871763 0.00000000 70 0.00000000 0.00000000 0.00000000 0.00000000 -3.46118207 36 37 38 39 40 1 0.01025982 0.00000000 0.00000000 -0.07299681 0.00000000 2 0.08104849 0.00000000 0.00000000 -0.05949141 0.00000000 3 0.08650877 0.00000000 0.00000000 0.53057864 0.00000000 4 0.38932425 0.00000000 0.00000000 -0.06972502 0.00000000 5 0.00000000 -0.04385590 0.35676985 0.00000000 0.00000000 6 0.00000000 0.35676985 0.04385590 0.00000000 0.00000000 7 3.18845684 0.00000000 0.00000000 0.54483451 0.00000000 8 0.00000000 0.13449756 -1.09414422 0.00000000 0.00000000 9 0.00000000 -1.09414422 -0.13449756 0.00000000 0.00000000 10 -10.21220942 0.00000000 0.00000000 -1.96648235 0.00000000 11 0.00000000 -0.01377203 0.11203613 0.00000000 0.00000000 12 0.00000000 0.11203613 0.01377203 0.00000000 0.00000000 13 1.28857484 0.00000000 0.00000000 0.29885220 0.00000000 14 -0.02463980 0.00000000 0.00000000 -0.04789689 0.01564149 15 0.00000000 0.00000000 0.00000000 0.00000000 0.00002302 16 0.00000000 0.00392504 -0.03193041 0.00000000 0.00000000 17 -0.02463980 0.00000000 0.00000000 -0.04789689 -0.01564149 18 0.00000000 -0.03193041 -0.00392504 0.00000000 0.00000000 19 0.08293578 0.00000000 0.00000000 0.00730889 0.00000000 20 0.02962128 0.00000000 0.00000000 -0.16693062 0.00894230 21 0.00000000 0.00000000 0.00000000 0.00000000 0.00001316 22 0.00000000 0.00525991 -0.04278966 0.00000000 0.00000000 23 0.02962128 0.00000000 0.00000000 -0.16693062 -0.00894230 24 0.00000000 -0.04278966 -0.00525991 0.00000000 0.00000000 25 -0.41111325 0.00000000 0.00000000 -0.17929504 0.00000000 26 0.00000000 -0.00917240 0.07461792 0.00000000 0.00000000 27 0.00000000 0.03337015 0.00410202 0.00000000 0.00000000 28 2.03097768 0.00000000 0.00000000 -0.08220651 -0.65711339 29 0.00000000 -0.00410202 0.03337015 0.00000000 0.00000000 30 0.00000000 0.00000000 0.00000000 0.00000000 -0.00096697 31 0.00000000 -0.12168665 0.98992679 0.00000000 0.00000000 32 0.00000000 0.07461792 0.00917240 0.00000000 0.00000000 33 2.03097768 0.00000000 0.00000000 -0.08220651 0.65711339 34 0.00000000 0.98992679 0.12168665 0.00000000 0.00000000 35 4.84204004 0.00000000 0.00000000 1.57543784 0.00000000 36 -0.07596216 0.00000000 0.00000000 -0.06217184 0.00000000 37 -0.06866980 0.00000000 0.00000000 -0.05987842 0.00000000 38 0.03546223 0.00000000 0.00000000 0.52925956 0.00000000 39 -0.39123270 0.00000000 0.00000000 -0.06866600 0.00000000 40 0.00000000 -0.04690464 0.38157153 0.00000000 0.00000000 41 0.00000000 0.38157153 0.04690464 0.00000000 0.00000000 42 3.95793608 0.00000000 0.00000000 -0.60463596 0.00000000 43 0.00000000 0.14390234 -1.17065252 0.00000000 0.00000000 44 0.00000000 -1.17065252 -0.14390234 0.00000000 0.00000000 45 -12.59737946 0.00000000 0.00000000 2.15839151 0.00000000 46 0.00000000 -0.01434138 0.11666781 0.00000000 0.00000000 47 0.00000000 0.11666781 0.01434138 0.00000000 0.00000000 48 1.53549733 0.00000000 0.00000000 -0.31572779 0.00000000 49 0.01807545 0.00000000 0.00000000 -0.04647926 0.01794750 50 0.00000000 0.00000000 0.00000000 0.00000000 0.00002641 51 0.00000000 -0.00416660 0.03389548 0.00000000 0.00000000 52 0.01807545 0.00000000 0.00000000 -0.04647926 -0.01794750 53 0.00000000 0.03389548 0.00416660 0.00000000 0.00000000 54 -0.07049778 0.00000000 0.00000000 0.00608647 0.00000000 55 -0.03458056 0.00000000 0.00000000 -0.16744145 0.01163807 56 0.00000000 0.00000000 0.00000000 0.00000000 0.00001713 57 0.00000000 -0.00600584 0.04885783 0.00000000 0.00000000 58 -0.03458056 0.00000000 0.00000000 -0.16744145 -0.01163807 59 0.00000000 0.04885783 0.00600584 0.00000000 0.00000000 60 0.35637323 0.00000000 0.00000000 -0.19724510 0.00000000 61 0.00000000 -0.01579733 0.12851204 0.00000000 0.00000000 62 0.00000000 0.05747233 0.00706478 0.00000000 0.00000000 63 2.54986207 0.00000000 0.00000000 0.03647991 0.55698877 64 0.00000000 -0.00706478 0.05747233 0.00000000 0.00000000 65 0.00000000 0.00000000 0.00000000 0.00000000 0.00081963 66 0.00000000 -0.12006338 0.97672140 0.00000000 0.00000000 67 0.00000000 0.12851204 0.01579733 0.00000000 0.00000000 68 2.54986207 0.00000000 0.00000000 0.03647991 -0.55698877 69 0.00000000 0.97672140 0.12006338 0.00000000 0.00000000 70 5.98949745 0.00000000 0.00000000 -1.65318431 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 0.00001993 0.00000000 0.00000000 0.00000000 0.00000000 15 -0.01806124 0.00000000 0.00000000 0.00000000 0.00000000 16 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 17 -0.00001993 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 0.00001140 0.00000000 0.00000000 0.00000000 0.00000000 21 -0.01032568 0.00000000 0.00000000 0.00000000 0.00000000 22 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 23 -0.00001140 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 -0.75414509 0.14445490 0.18688401 -0.02174117 27 0.00000000 -0.19380659 -1.01179181 -0.02916884 -0.25073121 28 -0.00083742 0.00000000 0.00000000 0.00000000 0.00000000 29 0.00000000 1.01179181 -0.19380659 -0.25073121 0.02916884 30 0.75876918 0.00000000 0.00000000 0.00000000 0.00000000 31 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 32 0.00000000 0.14445490 0.75414509 0.02174117 0.18688401 33 0.00083742 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 0.00002287 0.00000000 0.00000000 0.00000000 0.00000000 50 -0.02072398 0.00000000 0.00000000 0.00000000 0.00000000 51 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 52 -0.00002287 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 0.00001483 0.00000000 0.00000000 0.00000000 0.00000000 56 -0.01343848 0.00000000 0.00000000 0.00000000 0.00000000 57 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 58 -0.00001483 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 -0.18422683 0.03528826 -0.76284970 0.08874620 62 0.00000000 -0.04734417 -0.24716623 0.11906553 1.02347027 63 0.00070982 0.00000000 0.00000000 0.00000000 0.00000000 64 0.00000000 0.24716623 -0.04734417 1.02347027 -0.11906553 65 -0.64315523 0.00000000 0.00000000 0.00000000 0.00000000 66 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 67 0.00000000 0.03528826 0.18422683 -0.08874620 -0.76284970 68 -0.00070982 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 1.92551366 2 0.00000000 0.00000000 0.00000000 0.00000000 -0.56251222 3 0.00000000 0.00000000 0.00000000 0.00000000 -1.06211414 4 0.00000000 0.00000000 0.00000000 0.00000000 -0.39062765 5 0.00000000 0.00000000 0.25242673 0.05544369 0.00000000 6 0.00000000 0.00000000 0.05544369 -0.25242673 0.00000000 7 0.00000000 0.00000000 0.00000000 0.00000000 1.45471542 8 0.00000000 0.00000000 -0.70012455 -0.15377724 0.00000000 9 0.00000000 0.00000000 -0.15377724 0.70012455 0.00000000 10 0.00000000 0.00000000 0.00000000 0.00000000 -4.54597110 11 0.00000000 0.00000000 0.02012862 0.00442110 0.00000000 12 0.00000000 0.00000000 0.00442110 -0.02012862 0.00000000 13 0.00000000 0.00000000 0.00000000 0.00000000 0.47140431 14 0.02097304 -0.00002945 0.00000000 0.00000000 0.15493386 15 -0.00003401 -0.02421758 0.00000000 0.00000000 0.00000000 16 0.00000000 0.00000000 -0.11878386 -0.02609001 0.00000000 17 -0.02097304 0.00002945 0.00000000 0.00000000 0.15493386 18 0.00000000 0.00000000 -0.02609001 0.11878386 0.00000000 19 0.00000000 0.00000000 0.00000000 0.00000000 -0.30041120 20 0.01160722 -0.00001630 0.00000000 0.00000000 0.04254300 21 -0.00001882 -0.01340287 0.00000000 0.00000000 0.00000000 22 0.00000000 0.00000000 -0.06007154 -0.01319427 0.00000000 23 -0.01160722 0.00001630 0.00000000 0.00000000 0.04254300 24 0.00000000 0.00000000 -0.01319427 0.06007154 0.00000000 25 0.00000000 0.00000000 0.00000000 0.00000000 -0.21648324 26 0.00000000 0.00000000 0.74378687 0.16336735 0.00000000 27 0.00000000 0.00000000 0.07306010 -0.33263160 0.00000000 28 0.56346242 -0.00079127 0.00000000 0.00000000 1.34593785 29 0.00000000 0.00000000 0.33263160 0.07306010 0.00000000 30 -0.00091369 -0.65063036 0.00000000 0.00000000 0.00000000 31 0.00000000 0.00000000 -0.60210248 -0.13224741 0.00000000 32 0.00000000 0.00000000 0.16336735 -0.74378687 0.00000000 33 -0.56346242 0.00079127 0.00000000 0.00000000 1.34593785 34 0.00000000 0.00000000 -0.13224741 0.60210248 0.00000000 35 0.00000000 0.00000000 0.00000000 0.00000000 1.35509326 36 0.00000000 0.00000000 0.00000000 0.00000000 -1.88660829 37 0.00000000 0.00000000 0.00000000 0.00000000 0.55242598 38 0.00000000 0.00000000 0.00000000 0.00000000 1.03962803 39 0.00000000 0.00000000 0.00000000 0.00000000 0.38010108 40 0.00000000 0.00000000 -0.24670793 -0.05418759 0.00000000 41 0.00000000 0.00000000 -0.05418759 0.24670793 0.00000000 42 0.00000000 0.00000000 0.00000000 0.00000000 1.45631836 43 0.00000000 0.00000000 0.68576193 0.15062260 0.00000000 44 0.00000000 0.00000000 0.15062260 -0.68576193 0.00000000 45 0.00000000 0.00000000 0.00000000 0.00000000 -4.54788036 46 0.00000000 0.00000000 -0.01846387 -0.00405545 0.00000000 47 0.00000000 0.00000000 -0.00405545 0.01846387 0.00000000 48 0.00000000 0.00000000 0.00000000 0.00000000 0.46851182 49 -0.01724784 0.00002422 0.00000000 0.00000000 -0.15175934 50 0.00002797 0.01991609 0.00000000 0.00000000 0.00000000 51 0.00000000 0.00000000 -0.11224071 -0.02465285 0.00000000 52 0.01724784 -0.00002422 0.00000000 0.00000000 -0.15175934 53 0.00000000 0.00000000 -0.02465285 0.11224071 0.00000000 54 0.00000000 0.00000000 0.00000000 0.00000000 0.28644925 55 -0.01061656 0.00001491 0.00000000 0.00000000 -0.04433240 56 0.00001722 0.01225895 0.00000000 0.00000000 0.00000000 57 0.00000000 0.00000000 -0.06150309 -0.01350870 0.00000000 58 0.01061656 -0.00001491 0.00000000 0.00000000 -0.04433240 59 0.00000000 0.00000000 -0.01350870 0.06150309 0.00000000 60 0.00000000 0.00000000 0.00000000 0.00000000 0.22462908 61 0.00000000 0.00000000 -0.75424012 -0.16566333 0.00000000 62 0.00000000 0.00000000 -0.07408689 0.33730644 0.00000000 63 0.66256888 -0.00093045 0.00000000 0.00000000 1.35506844 64 0.00000000 0.00000000 -0.33730644 -0.07408689 0.00000000 65 -0.00107439 -0.76506864 0.00000000 0.00000000 0.00000000 66 0.00000000 0.00000000 0.63257787 0.13894111 0.00000000 67 0.00000000 0.00000000 -0.16566333 0.75424012 0.00000000 68 -0.66256888 0.00093045 0.00000000 0.00000000 1.35506844 69 0.00000000 0.00000000 0.13894111 -0.63257787 0.00000000 70 0.00000000 0.00000000 0.00000000 0.00000000 1.34867208 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 -0.00857499 -0.02687511 0.00000000 0.00000000 0.00000000 6 -0.02687511 0.00857499 0.00000000 0.00000000 0.00000000 7 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 8 0.03596314 0.11271311 0.00000000 0.00000000 0.00000000 9 0.11271311 -0.03596314 0.00000000 0.00000000 0.00000000 10 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 11 0.00311909 0.00977564 0.00000000 0.00000000 0.00000000 12 0.00977564 -0.00311909 0.00000000 0.00000000 0.00000000 13 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 14 0.00000000 0.00000000 0.87796031 0.02846880 0.59290762 15 0.00000000 0.00000000 -0.03287294 1.01378124 0.01889173 16 0.27120544 0.84999267 0.00000000 0.00000000 0.00000000 17 0.00000000 0.00000000 -0.87796031 -0.02846880 -0.59290762 18 0.84999267 -0.27120544 0.00000000 0.00000000 0.00000000 19 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 20 0.00000000 0.00000000 -0.41927790 -0.01359554 -0.30500991 21 0.00000000 0.00000000 0.01569877 -0.48414041 -0.00971849 22 -0.12255609 -0.38410651 0.00000000 0.00000000 0.00000000 23 0.00000000 0.00000000 0.41927790 0.01359554 0.30500991 24 -0.38410651 0.12255609 0.00000000 0.00000000 0.00000000 25 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 26 -0.02719460 -0.08523138 0.00000000 0.00000000 0.00000000 27 -0.03811663 0.01216180 0.00000000 0.00000000 0.00000000 28 0.00000000 0.00000000 0.01639531 0.00053164 -0.02806744 29 -0.01216180 -0.03811663 0.00000000 0.00000000 0.00000000 30 0.00000000 0.00000000 -0.00061388 0.01893167 -0.00089431 31 0.00765704 0.02399816 0.00000000 0.00000000 0.00000000 32 -0.08523138 0.02719460 0.00000000 0.00000000 0.00000000 33 0.00000000 0.00000000 -0.01639531 -0.00053164 0.02806744 34 0.02399816 -0.00765704 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 -0.00726033 -0.02275481 0.00000000 0.00000000 0.00000000 41 -0.02275481 0.00726033 0.00000000 0.00000000 0.00000000 42 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 43 0.02962035 0.09283399 0.00000000 0.00000000 0.00000000 44 0.09283399 -0.02962035 0.00000000 0.00000000 0.00000000 45 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 46 0.00812512 0.02546516 0.00000000 0.00000000 0.00000000 47 0.02546516 -0.00812512 0.00000000 0.00000000 0.00000000 48 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 49 0.00000000 0.00000000 0.58223738 0.01887967 -0.88479905 50 0.00000000 0.00000000 -0.02180037 0.67230982 -0.02819223 51 -0.24628347 -0.77188402 0.00000000 0.00000000 0.00000000 52 0.00000000 0.00000000 -0.58223738 -0.01887967 0.88479905 53 -0.77188402 0.24628347 0.00000000 0.00000000 0.00000000 54 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 55 0.00000000 0.00000000 -0.26827435 -0.00869908 0.44100282 56 0.00000000 0.00000000 0.01004484 -0.30977654 0.01405161 57 0.10550623 0.33067006 0.00000000 0.00000000 0.00000000 58 0.00000000 0.00000000 0.26827435 0.00869908 -0.44100282 59 0.33067006 -0.10550623 0.00000000 0.00000000 0.00000000 60 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 61 -0.02853235 -0.08942404 0.00000000 0.00000000 0.00000000 62 -0.03999165 0.01276005 0.00000000 0.00000000 0.00000000 63 0.00000000 0.00000000 -0.02678754 -0.00086861 -0.02002840 64 -0.01276005 -0.03999165 0.00000000 0.00000000 0.00000000 65 0.00000000 0.00000000 0.00100299 -0.03093159 -0.00063816 66 0.01485203 0.04654817 0.00000000 0.00000000 0.00000000 67 -0.08942404 0.02853235 0.00000000 0.00000000 0.00000000 68 0.00000000 0.00000000 0.02678754 0.00086861 0.02002840 69 0.04654817 -0.01485203 0.00000000 0.00000000 0.00000000 70 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 56 57 58 59 60 1 0.00000000 -0.62520934 0.00000000 0.00000000 4.76180766 2 0.00000000 0.19950749 0.00000000 0.00000000 -0.70348418 3 0.00000000 0.51857826 0.00000000 0.00000000 -4.31865735 4 0.00000000 0.18829396 0.00000000 0.00000000 -1.19027409 5 0.00000000 0.00000000 0.04208288 -0.01780044 0.00000000 6 0.00000000 0.00000000 -0.01780044 -0.04208288 0.00000000 7 0.00000000 0.28430249 0.00000000 0.00000000 0.57479594 8 0.00000000 0.00000000 -0.18144684 0.07674935 0.00000000 9 0.00000000 0.00000000 0.07674935 0.18144684 0.00000000 10 0.00000000 -1.50454861 0.00000000 0.00000000 -1.76079964 11 0.00000000 0.00000000 0.15140932 -0.06404392 0.00000000 12 0.00000000 0.00000000 -0.06404392 -0.15140932 0.00000000 13 0.00000000 0.22708479 0.00000000 0.00000000 -0.71983148 14 0.01636072 0.41638487 0.00000000 0.00000000 -0.58821140 15 -0.68463075 0.00000000 0.00000000 0.00000000 0.00000000 16 0.00000000 0.00000000 -0.78767339 0.33317430 0.00000000 17 -0.01636072 0.41638487 0.00000000 0.00000000 -0.58821140 18 0.00000000 0.00000000 0.33317430 0.78767339 0.00000000 19 0.00000000 -0.92049998 0.00000000 0.00000000 0.69416491 20 -0.00841646 -0.34228352 0.00000000 0.00000000 0.84145204 21 0.35219511 0.00000000 0.00000000 0.00000000 0.00000000 22 0.00000000 0.00000000 0.51422073 -0.21750783 0.00000000 23 0.00841646 -0.34228352 0.00000000 0.00000000 0.84145204 24 0.00000000 0.00000000 -0.21750783 -0.51422073 0.00000000 25 0.00000000 0.36871344 0.00000000 0.00000000 -0.65586075 26 0.00000000 0.00000000 -0.03204651 0.01355521 0.00000000 27 0.00000000 0.00000000 0.00606207 0.01433164 0.00000000 28 -0.00077449 0.29902760 0.00000000 0.00000000 0.60554237 29 0.00000000 0.00000000 -0.01433164 0.00606207 0.00000000 30 0.03240949 0.00000000 0.00000000 0.00000000 0.00000000 31 0.00000000 0.00000000 0.18511787 -0.07830214 0.00000000 32 0.00000000 0.00000000 0.01355521 0.03204651 0.00000000 33 0.00077449 0.29902760 0.00000000 0.00000000 0.60554237 34 0.00000000 0.00000000 -0.07830214 -0.18511787 0.00000000 35 0.00000000 0.75645689 0.00000000 0.00000000 0.51244535 36 0.00000000 -0.49079446 0.00000000 0.00000000 -4.18439910 37 0.00000000 0.18429818 0.00000000 0.00000000 0.57792679 38 0.00000000 0.37766723 0.00000000 0.00000000 3.93418944 39 0.00000000 0.15503891 0.00000000 0.00000000 1.03751862 40 0.00000000 0.00000000 -0.04465082 0.01888664 0.00000000 41 0.00000000 0.00000000 0.01888664 0.04465082 0.00000000 42 0.00000000 -0.31855340 0.00000000 0.00000000 0.55139205 43 0.00000000 0.00000000 0.19137838 -0.08095025 0.00000000 44 0.00000000 0.00000000 -0.08095025 -0.19137838 0.00000000 45 0.00000000 1.58952977 0.00000000 0.00000000 -1.62415765 46 0.00000000 0.00000000 -0.15006685 0.06347608 0.00000000 47 0.00000000 0.00000000 0.06347608 0.15006685 0.00000000 48 0.00000000 -0.19273761 0.00000000 0.00000000 -0.73422182 49 -0.02441519 0.39686766 0.00000000 0.00000000 0.57859838 50 1.02167794 0.00000000 0.00000000 0.00000000 0.00000000 51 0.00000000 0.00000000 -0.85981133 0.36368759 0.00000000 52 0.02441519 0.39686766 0.00000000 0.00000000 0.57859838 53 0.00000000 0.00000000 0.36368759 0.85981133 0.00000000 54 0.00000000 -0.88937161 0.00000000 0.00000000 -0.75240094 55 0.01216905 -0.30934531 0.00000000 0.00000000 -0.81050494 56 -0.50922620 0.00000000 0.00000000 0.00000000 0.00000000 57 0.00000000 0.00000000 0.54472635 -0.23041126 0.00000000 58 -0.01216905 -0.30934531 0.00000000 0.00000000 -0.81050494 59 0.00000000 0.00000000 -0.23041126 -0.54472635 0.00000000 60 0.00000000 0.32691042 0.00000000 0.00000000 0.70827961 61 0.00000000 0.00000000 0.02498950 -0.01057019 0.00000000 62 0.00000000 0.00000000 -0.00472713 -0.01117564 0.00000000 63 -0.00055266 -0.33111144 0.00000000 0.00000000 0.57274507 64 0.00000000 0.00000000 0.01117564 -0.00472713 0.00000000 65 0.02312680 0.00000000 0.00000000 0.00000000 0.00000000 66 0.00000000 0.00000000 -0.18382895 0.07775695 0.00000000 67 0.00000000 0.00000000 -0.01057019 -0.02498950 0.00000000 68 0.00055266 -0.33111144 0.00000000 0.00000000 0.57274507 69 0.00000000 0.00000000 0.07775695 0.18382895 0.00000000 70 0.00000000 -0.76904920 0.00000000 0.00000000 0.44125908 61 62 63 64 65 1 10.35649059 0.00000000 0.00000000 0.00000000 0.00000000 2 -2.29750369 0.00000000 0.00000000 0.00000000 0.00000000 3 -6.80885816 0.00000000 0.00000000 0.00000000 0.00000000 4 -2.75224137 0.00000000 0.00000000 0.00000000 0.00000000 5 0.00000000 0.03065333 -1.31485748 0.05752593 -0.54429146 6 0.00000000 1.31485748 0.03065333 0.54429146 0.05752593 7 0.34285215 0.00000000 0.00000000 0.00000000 0.00000000 8 0.00000000 -0.20167047 8.65054235 -0.34235742 3.23927330 9 0.00000000 -8.65054235 -0.20167047 -3.23927330 -0.34235742 10 -2.31532571 0.00000000 0.00000000 0.00000000 0.00000000 11 0.00000000 0.01492675 -0.64027462 0.03124048 -0.29558718 12 0.00000000 0.64027462 0.01492675 0.29558718 0.03124048 13 0.23907242 0.00000000 0.00000000 0.00000000 0.00000000 14 -0.43035061 0.00000000 0.00000000 0.00000000 0.00000000 15 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 16 0.00000000 0.00005672 -0.00243316 -0.00011347 0.00107363 17 -0.43035061 0.00000000 0.00000000 0.00000000 0.00000000 18 0.00000000 0.00243316 0.00005672 -0.00107363 -0.00011347 19 -0.43344625 0.00000000 0.00000000 0.00000000 0.00000000 20 0.67661845 0.00000000 0.00000000 0.00000000 0.00000000 21 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 22 0.00000000 0.00003910 -0.00167727 -0.00077544 0.00733699 23 0.67661845 0.00000000 0.00000000 0.00000000 0.00000000 24 0.00000000 0.00167727 0.00003910 -0.00733699 -0.00077544 25 0.71020516 0.00000000 0.00000000 0.00000000 0.00000000 26 0.00000000 0.11287987 -4.84191923 0.18995036 -1.79724784 27 0.00000000 2.16537211 0.05048141 0.80375367 0.08494838 28 0.59699708 0.00000000 0.00000000 0.00000000 0.00000000 29 0.00000000 0.05048141 -2.16537211 0.08494838 -0.80375367 30 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 31 0.00000000 0.05072562 -2.17584736 0.07880614 -0.74563778 32 0.00000000 4.84191923 0.11287987 1.79724784 0.18995036 33 0.59699708 0.00000000 0.00000000 0.00000000 0.00000000 34 0.00000000 2.17584736 0.05072562 0.74563778 0.07880614 35 1.29155323 0.00000000 0.00000000 0.00000000 0.00000000 36 9.24215825 0.00000000 0.00000000 0.00000000 0.00000000 37 -2.02108888 0.00000000 0.00000000 0.00000000 0.00000000 38 -6.16246652 0.00000000 0.00000000 0.00000000 0.00000000 39 -2.49008382 0.00000000 0.00000000 0.00000000 0.00000000 40 0.00000000 0.00803149 -0.34450650 -0.14346891 1.35745565 41 0.00000000 0.34450650 0.00803149 -1.35745565 -0.14346891 42 -0.29299936 0.00000000 0.00000000 0.00000000 0.00000000 43 0.00000000 -0.05976805 2.56371711 0.92815521 -8.78189925 44 0.00000000 -2.56371711 -0.05976805 8.78189925 0.92815521 45 1.71808162 0.00000000 0.00000000 0.00000000 0.00000000 46 0.00000000 0.00336131 -0.14418146 -0.07215526 0.68270930 47 0.00000000 0.14418146 0.00336131 -0.68270930 -0.07215526 48 -0.08025904 0.00000000 0.00000000 0.00000000 0.00000000 49 -0.42898176 0.00000000 0.00000000 0.00000000 0.00000000 50 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 51 0.00000000 -0.00005716 0.00245172 0.00010958 -0.00103684 52 -0.42898176 0.00000000 0.00000000 0.00000000 0.00000000 53 0.00000000 -0.00245172 -0.00005716 0.00103684 0.00010958 54 -0.27496579 0.00000000 0.00000000 0.00000000 0.00000000 55 0.65695760 0.00000000 0.00000000 0.00000000 0.00000000 56 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 57 0.00000000 -0.00016177 0.00693893 -0.00031049 0.00293780 58 0.65695760 0.00000000 0.00000000 0.00000000 0.00000000 59 0.00000000 -0.00693893 -0.00016177 -0.00293780 -0.00031049 60 0.50098907 0.00000000 0.00000000 0.00000000 0.00000000 61 0.00000000 0.03377048 -1.44856596 -0.51879623 4.90867921 62 0.00000000 0.64781839 0.01510262 -2.19522808 -0.23201273 63 -0.47465889 0.00000000 0.00000000 0.00000000 0.00000000 64 0.00000000 0.01510262 -0.64781839 -0.23201273 2.19522808 65 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 66 0.00000000 0.01636129 -0.70180857 -0.22918894 2.16851038 67 0.00000000 1.44856596 0.03377048 -4.90867921 -0.51879623 68 -0.47465889 0.00000000 0.00000000 0.00000000 0.00000000 69 0.00000000 0.70180857 0.01636129 -2.16851038 -0.22918894 70 -0.89243938 0.00000000 0.00000000 0.00000000 0.00000000 66 67 68 69 70 1 -1.75053462 -5.56136457 6.09654370 -55.40894541 -55.05451941 2 0.44715745 1.13012605 -1.36409584 26.83511877 26.54488918 3 1.12869814 3.45891008 -3.83285642 32.50728789 32.84892024 4 0.24305293 1.49143072 -1.61770328 15.68003497 15.28329994 5 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 6 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 7 -1.37057093 1.35836816 -0.72291505 0.08436828 0.46100102 8 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 9 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 10 7.78728995 -7.43639673 2.07962908 -0.39476107 -1.56443076 11 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 12 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 13 -0.77918182 0.43663943 0.10414400 -0.00458580 0.19507854 14 0.00502092 0.18104497 -0.17987036 -3.58989584 -3.53713368 15 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 16 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 17 0.00502092 0.18104497 -0.17987036 -3.58989584 -3.53713368 18 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 19 0.10605451 0.58479436 -0.62308497 -3.55492999 -3.48490664 20 -0.09894652 -0.23773069 0.21129496 -3.34732938 -3.35152144 21 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 22 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 23 -0.09894652 -0.23773069 0.21129496 -3.34732938 -3.35152144 24 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 25 -0.07059366 -0.62309095 1.06467681 -3.27676093 -3.63437613 26 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 27 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 28 -1.89934377 1.88049421 -0.60105430 0.07657634 0.38442614 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 -1.89934377 1.88049421 -0.60105430 0.07657634 0.38442614 34 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 35 -4.13667158 3.93855442 -0.57174456 0.25969333 0.57904388 36 3.73016304 1.14114760 -9.10166867 -54.24645214 56.20369638 37 -0.86706133 -0.34170716 1.94509406 26.27398943 -27.10082191 38 -2.41652804 -0.75630370 5.71787164 31.81314207 -33.52238597 39 -0.77666281 -0.26520623 2.44145820 15.35737867 -15.60866934 40 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 41 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 42 -1.25794354 -0.61920543 -1.49969045 -0.07459847 0.46252945 43 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 44 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 45 7.13382635 4.81310434 6.89931218 0.36162145 -1.57179628 46 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 47 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 48 -0.73089254 -0.49003235 -0.25867380 0.00872002 0.19487920 49 -0.08679426 -0.02040481 0.29671942 -3.51502471 3.61137473 50 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 51 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 52 -0.08679426 -0.02040481 0.29671942 -3.51502471 3.61137473 53 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 54 -0.21278722 -0.07053073 0.88584351 -3.48111989 3.55842618 55 0.22307616 0.02550054 -0.37243146 -3.27624636 3.42061950 56 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 57 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 58 0.22307616 0.02550054 -0.37243146 -3.27624636 3.42061950 59 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 60 0.19266403 0.36388339 -1.24219582 -3.19980212 3.70195852 61 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 62 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 63 -1.74371588 -1.15529014 -1.79303311 -0.06844999 0.38584333 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 -1.74371588 -1.15529014 -1.79303311 -0.06844999 0.38584333 69 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 70 -3.76499373 -2.93326027 -3.28029715 -0.24737081 0.58405126 --------------------------------------- UHF spin-up orbital energies --------------------------------------- 1 1 -0.49655470 2 0.06379853 3 0.24522642 4 0.34812167 5 0.43440696 6 0.43440696 7 0.56021922 8 0.63137360 9 0.63137360 10 0.90372657 11 1.15574238 12 1.24281751 13 1.63504091 14 1.79318344 15 1.79318344 16 1.90059680 17 1.90059680 18 1.93457134 19 1.93457134 20 2.01130485 21 2.01130485 22 2.17126072 23 2.17126072 24 2.17341457 25 2.37038115 26 2.55426674 27 2.55426674 28 3.04194808 29 3.11453673 30 3.38049171 31 4.39482892 32 4.39482892 33 4.53445418 34 4.53445418 35 4.62160605 36 4.75220982 37 5.83512151 38 5.83512151 39 5.89736218 40 5.98508206 41 5.98508206 42 6.05250886 43 6.05250886 44 6.08461516 45 6.08461516 46 6.15647137 47 6.15647137 48 6.48177977 49 6.48177977 50 7.21393962 51 8.09050329 52 8.09050329 53 8.09280282 54 8.09280282 55 8.19593633 56 8.19593633 57 8.46749378 58 8.49818305 59 8.49818305 60 9.21864996 61 9.63518003 62 9.70867799 63 9.70867799 64 9.75685203 65 9.75685203 66 9.78363418 67 9.97887770 68 10.01165299 69 22.73244386 70 23.23897559 --------------------------------------- UHF spin-down orbital energies --------------------------------------- 1 1 -0.49655470 2 0.06379853 3 0.24522642 4 0.34812167 5 0.43440696 6 0.43440696 7 0.56021922 8 0.63137360 9 0.63137360 10 0.90372657 11 1.15574238 12 1.24281751 13 1.63504091 14 1.79318344 15 1.79318344 16 1.90059680 17 1.90059680 18 1.93457134 19 1.93457134 20 2.01130485 21 2.01130485 22 2.17126072 23 2.17126072 24 2.17341457 25 2.37038115 26 2.55426674 27 2.55426674 28 3.04194808 29 3.11453673 30 3.38049171 31 4.39482892 32 4.39482892 33 4.53445418 34 4.53445418 35 4.62160605 36 4.75220982 37 5.83512151 38 5.83512151 39 5.89736218 40 5.98508206 41 5.98508206 42 6.05250886 43 6.05250886 44 6.08461516 45 6.08461516 46 6.15647137 47 6.15647137 48 6.48177977 49 6.48177977 50 7.21393962 51 8.09050329 52 8.09050329 53 8.09280282 54 8.09280282 55 8.19593633 56 8.19593633 57 8.46749378 58 8.49818305 59 8.49818305 60 9.21864996 61 9.63518003 62 9.70867799 63 9.70867799 64 9.75685203 65 9.75685203 66 9.78363418 67 9.97887770 68 10.01165299 69 22.73244386 70 23.23897559 Total CPU time for UHF = 2.974 seconds AO to MO transformation... Please be patient Total CPU time for AO to MO transformation = 16.062 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 | 0.567513 | 15.442826 | | 2 | 0.602092 | 16.383751 | | 3 | 0.762172 | 20.739745 | | 4 | 0.793852 | 21.601811 | | 5 | 0.850177 | 23.134482 | | 6 | 0.886692 | 24.128126 | | 7 | 0.947193 | 25.774430 | | 8 | 0.947193 | 25.774430 | | 9 | 1.003375 | 27.303218 | | 10 | 1.003375 | 27.303218 | | 11 | 1.079006 | 29.361259 | | 12 | 1.118296 | 30.430382 | | 13 | 1.143150 | 31.106702 | | 14 | 1.143150 | 31.106702 | | 15 | 1.162226 | 31.625786 | | 16 | 1.162226 | 31.625786 | | 17 | 1.416273 | 38.538742 | | 18 | 1.433966 | 39.020203 | | 19 | 1.693908 | 46.093588 | | 20 | 1.728098 | 47.023950 | ------------------------------------------------------------- *** 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| -13.511942 -13.511942| 0.133936 0.133936| 0.949574 0.949574| -13.384760 -13.384760| | 2| 1.736046 1.736046| -0.907370 -0.907370| 0.973273 0.973273| 0.852928 0.852928| | 3| 6.672951 6.672951| -0.238847 -0.238847| 0.990584 0.990584| 6.436353 6.436353| | 4| 9.472873 9.472873| -1.050704 -1.050704| 0.963366 0.963366| 8.460661 8.460661| | 5| 11.820816 11.820816| -0.562012 -0.562012| 0.980843 0.980843| 11.269570 11.269570| | 6| 11.820816 11.820816| -0.562012 -0.562012| 0.980843 0.980843| 11.269570 11.269570| | 7| 15.244341 15.244341| -1.059535 -1.059535| 0.879713 0.879713| 14.312255 14.312255| | 8| 17.180551 17.180551| -0.768110 -0.768110| 0.963131 0.963131| 16.440760 16.440760| | 9| 17.180551 17.180551| -0.768110 -0.768110| 0.963131 0.963131| 16.440760 16.440760| | 10| 24.591653 24.591653| -0.980410 -0.980410| 0.729843 0.729843| 23.876107 23.876107| | 11| 31.449352 31.449352| -0.668347 -0.668347| 0.528215 0.528215| 31.096321 31.096321| | 12| 33.818787 33.818787| 1.297275 1.297275| 0.098207 0.098207| 33.946189 33.946189| | 13| 44.491729 44.491729| -1.277324 -1.277324| 0.593011 0.593011| 43.734262 43.734262| | 14| 48.795007 48.795007| -1.082847 -1.082847| 0.853319 0.853319| 47.870993 47.870993| | 15| 48.795007 48.795007| -1.082847 -1.082847| 0.853319 0.853319| 47.870993 47.870993| | 16| 51.717873 51.717873| -0.806937 -0.806937| 0.437091 0.437091| 51.365168 51.365168| | 17| 51.717873 51.717873| -0.806937 -0.806937| 0.437091 0.437091| 51.365168 51.365168| | 18| 52.642367 52.642367| -1.033894 -1.033894| 0.777978 0.777978| 51.838020 51.838020| | 19| 52.642367 52.642367| -1.033894 -1.033894| 0.777978 0.777978| 51.838020 51.838020| | 20| 54.730393 54.730393| -0.653011 -0.653011| 0.922320 0.922320| 54.128108 54.128108| | 21| 54.730393 54.730393| -0.653011 -0.653011| 0.922320 0.922320| 54.128108 54.128108| | 22| 59.083014 59.083014| -1.033771 -1.033771| 0.923187 0.923187| 58.128650 58.128650| | 23| 59.083014 59.083014| -1.033771 -1.033771| 0.923187 0.923187| 58.128650 58.128650| | 24| 59.141623 59.141623| -2.638591 -2.638591| 0.541366 0.541366| 57.713178 57.713178| | 25| 64.501357 64.501357| -0.915389 -0.915389| 0.505842 0.505842| 64.038314 64.038314| | 26| 69.505138 69.505138| 0.970141 0.970141| 0.187965 0.187965| 69.687491 69.687491| | 27| 69.505138 69.505138| 0.970141 0.970141| 0.187965 0.187965| 69.687491 69.687491| | 28| 82.775623 82.775623| -2.339742 -2.339742| 0.095821 0.095821| 82.551426 82.551426| | 29| 84.750861 84.750861| 2.344368 2.344368| 0.194667 0.194667| 85.207233 85.207233| | 30| 91.987865 91.987865| -1.316932 -1.316932| 0.241335 0.241335| 91.670044 91.670044| | 31| 119.589386 119.589386| -0.898000 -0.898000| 0.871935 0.871935| 118.806388 118.806388| | 32| 119.589386 119.589386| -0.898000 -0.898000| 0.871935 0.871935| 118.806388 118.806388| | 33| 123.388783 123.388783| -0.820068 -0.820068| 0.452388 0.452388| 123.017794 123.017794| | 34| 123.388783 123.388783| -0.820068 -0.820068| 0.452388 0.452388| 123.017794 123.017794| | 35| 125.760306 125.760306| -0.622936 -0.622936| 0.821609 0.821609| 125.248496 125.248496| | 36| 129.314216 129.314216| -1.101706 -1.101706| 0.831574 0.831574| 128.398067 128.398067| | 37| 158.781744 158.781744| -1.791573 -1.791573| 0.177056 0.177056| 158.464536 158.464536| | 38| 158.781744 158.781744| -1.791573 -1.791573| 0.177056 0.177056| 158.464536 158.464536| | 39| 160.475399 160.475399| -0.140044 -0.140044| 0.744350 0.744350| 160.371157 160.371157| | 40| 162.862378 162.862378| -1.038698 -1.038698| 0.905759 0.905759| 161.921568 161.921568| | 41| 162.862378 162.862378| -1.038698 -1.038698| 0.905759 0.905759| 161.921568 161.921568| | 42| 164.697155 164.697155| -1.188933 -1.188933| 0.939988 0.939988| 163.579572 163.579572| | 43| 164.697155 164.697155| -1.188933 -1.188933| 0.939988 0.939988| 163.579572 163.579572| | 44| 165.570812 165.570812| -1.233806 -1.233806| 0.937233 0.937233| 164.414448 164.414448| | 45| 165.570812 165.570812| -1.233806 -1.233806| 0.937233 0.937233| 164.414448 164.414448| | 46| 167.526119 167.526119| -1.337654 -1.337654| 0.902439 0.902439| 166.318968 166.318968| | 47| 167.526119 167.526119| -1.337654 -1.337654| 0.902439 0.902439| 166.318968 166.318968| | 48| 176.378211 176.378211| 0.814900 0.814900| 0.276201 0.276201| 176.603287 176.603287| | 49| 176.378211 176.378211| 0.814900 0.814900| 0.276201 0.276201| 176.603287 176.603287| | 50| 196.301296 196.301296| -0.839945 -0.839945| 0.787073 0.787073| 195.640198 195.640198| | 51| 220.153808 220.153808| -1.711392 -1.711392| 0.572231 0.572231| 219.174496 219.174496| | 52| 220.153808 220.153808| -1.711392 -1.711392| 0.572231 0.572231| 219.174496 219.174496| | 53| 220.216381 220.216381| -2.669945 -2.669945| 0.808191 0.808191| 218.058555 218.058555| | 54| 220.216381 220.216381| -2.669945 -2.669945| 0.808191 0.808191| 218.058555 218.058555| | 55| 223.022787 223.022787| -2.896627 -2.896627| 0.740664 0.740664| 220.877359 220.877359| | 56| 223.022787 223.022787| -2.896627 -2.896627| 0.740664 0.740664| 220.877359 220.877359| | 57| 230.412242 230.412242| -1.516769 -1.516769| 0.814763 0.814763| 229.176434 229.176434| | 58| 231.247339 231.247339| -5.012860 -5.012860| 0.129311 0.129311| 230.599123 230.599123| | 59| 231.247339 231.247339| -5.012860 -5.012860| 0.129311 0.129311| 230.599123 230.599123| | 60| 250.852243 250.852243| -7.280495 -7.280495| 0.066806 0.066806| 250.365860 250.365860| | 61| 262.186603 262.186603| -3.288811 -3.288811| 0.747744 0.747744| 259.727414 259.727414| | 62| 264.186584 264.186584| -2.190201 -2.190201| 0.748016 0.748016| 262.548280 262.548280| | 63| 264.186584 264.186584| -2.190201 -2.190201| 0.748016 0.748016| 262.548280 262.548280| | 64| 265.497467 265.497467| -1.995756 -1.995756| 0.483119 0.483119| 264.533279 264.533279| | 65| 265.497467 265.497467| -1.995756 -1.995756| 0.483119 0.483119| 264.533279 264.533279| | 66| 266.226246 266.226246| -2.516459 -2.516459| 0.512050 0.512050| 264.937695 264.937695| | 67| 271.539093 271.539093| -2.776002 -2.776002| 0.601138 0.601138| 269.870332 269.870332| | 68| 272.430954 272.430954| -3.490616 -3.490616| 0.391228 0.391228| 271.065327 271.065327| | 69| 618.581305 618.581305| -1.108359 -1.108359| 0.964858 0.964858| 617.511896 617.511896| | 70| 632.364735 632.364735| -3.188870 -3.188870| 0.599034 0.599034| 630.454494 630.454494| -------------------------------------------------------------------------------------------------------------------------------- UG0W0 HOMO energy: -13.384760 eV UG0W0 LUMO energy: 0.852928 eV UG0W0 HOMO-LUMO gap : 14.237688 eV -------------------------------------------------------------------------------------------------------------------------------- RPA@UG0W0 total energy : -1.046001 au RPA@UG0W0 correlation energy: -0.034324 au GM@UG0W0 total energy : -1.076038 au GM@UG0W0 correlation energy: -0.064361 au -------------------------------------------------------------------------------------------------------------------------------- ------------------------------------------------------------- BSE@UGW calculation: spin-conserved manifold ------------------------------------------------------------- | State | Excitation energy (au) | Excitation energy (eV) | ------------------------------------------------------------- | 1 | 0.237246 | 6.455803 | | 2 | 0.292001 | 7.945748 | | 3 | 0.458707 | 12.482042 | | 4 | 0.490046 | 13.334834 | | 5 | 0.552750 | 15.041103 | | 6 | 0.552750 | 15.041103 | | 7 | 0.560743 | 15.258587 | | 8 | 0.580374 | 15.792771 | | 9 | 0.615781 | 16.756263 | | 10 | 0.615781 | 16.756263 | | 11 | 0.683893 | 18.609667 | | 12 | 0.727718 | 19.802216 | | 13 | 0.795852 | 21.656223 | | 14 | 0.795852 | 21.656223 | | 15 | 0.817184 | 22.236703 | | 16 | 0.817184 | 22.236703 | | 17 | 1.065336 | 28.989259 | | 18 | 1.084951 | 29.523021 | | 19 | 1.278508 | 34.789984 | | 20 | 1.295376 | 35.248982 | ------------------------------------------------------------- --------------------------------------------------------------- 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 -1.338543 1.791698 0.348785 3 0.000000 0.000000 0.358808 0.128743 0.039370 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 0.199802 0.039921 0.015446 9 1.312551 0.238452 -0.000000 1.779650 0.730583 10 -0.238452 1.312551 0.000000 1.779650 0.730583 11 0.000000 -0.000000 0.678888 0.460889 0.210132 12 -0.000000 0.000000 -0.000000 0.000000 0.000000 13 -0.213700 0.022797 -0.000000 0.046188 0.024506 14 -0.022797 -0.213700 -0.000000 0.046188 0.024506 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 0.177672 0.031567 0.022833 19 0.000000 0.000000 -0.063541 0.004038 0.003441 20 -0.000000 -0.000000 -0.000000 0.000000 0.000000 --------------------------------------------------------------- ------------------------------------------------------------- Excitation n. 1: 6.455803 eV f = 0.0000 = 0.5077 ------------------------------------------------------------- 1A -> 2A = -0.688952 1A -> 4A = 0.153872 1B -> 2B = -0.688952 1B -> 4B = 0.153872 ------------------------------------------------------------- Excitation n. 2: 7.945748 eV f = 0.3488 = 0.1017 ------------------------------------------------------------- 1A -> 2A = 0.693336 1A -> 3A = -0.101728 1B -> 2B = -0.693336 1B -> 3B = -0.101728 ------------------------------------------------------------- Excitation n. 3: 12.482042 eV f = 0.0394 = 1.3594 ------------------------------------------------------------- 1A -> 2A = 0.115673 1A -> 3A = 0.688244 1B -> 2B = -0.115673 1B -> 3B = 0.688244 ------------------------------------------------------------- Excitation n. 4: 13.334834 eV f = 0.0000 = 0.9604 ------------------------------------------------------------- 1A -> 3A = -0.689729 1A -> 4A = 0.140136 1B -> 3B = 0.689729 1B -> 4B = 0.140136 ------------------------------------------------------------- Excitation n. 5: 15.041103 eV f = 0.0000 = 1.4146 ------------------------------------------------------------- 1A -> 5A = -0.693144 1A -> 6A = -0.106355 1B -> 5B = -0.112818 1B -> 6B = 0.692121 ------------------------------------------------------------- Excitation n. 6: 15.041103 eV f = 0.0000 = 1.4146 ------------------------------------------------------------- 1A -> 5A = 0.106355 1A -> 6A = -0.693144 1B -> 5B = 0.692121 1B -> 6B = 0.112818 ------------------------------------------------------------- Excitation n. 7: 15.258587 eV f = 0.0000 = 1.0033 ------------------------------------------------------------- 1A -> 2A = -0.147113 1A -> 3A = -0.150582 1A -> 4A = -0.673282 1B -> 2B = -0.147113 1B -> 3B = 0.150582 1B -> 4B = -0.673282 ------------------------------------------------------------- Excitation n. 8: 15.792771 eV f = 0.0154 = 0.5883 ------------------------------------------------------------- 1A -> 4A = 0.693799 1B -> 4B = -0.693799 ------------------------------------------------------------- Excitation n. 9: 16.756263 eV f = 0.7306 = 0.6169 ------------------------------------------------------------- 1A -> 6A = -0.692289 1A -> 8A = 0.107133 1B -> 5B = -0.637622 1B -> 6B = -0.277967 1B -> 9B = -0.120883 ------------------------------------------------------------- Excitation n. 10: 16.756263 eV f = 0.7306 = 0.6169 ------------------------------------------------------------- 1A -> 5A = 0.692289 1A -> 9A = -0.107133 1B -> 5B = -0.277967 1B -> 6B = 0.637622 1B -> 8B = -0.120883 ------------------------------------------------------------- Excitation n. 11: 18.609667 eV f = 0.2101 = 1.4173 ------------------------------------------------------------- 1A -> 7A = 0.695613 1B -> 7B = 0.695613 ------------------------------------------------------------- Excitation n. 12: 19.802216 eV f = 0.0000 = 0.5407 ------------------------------------------------------------- 1A -> 7A = -0.701783 1B -> 7B = 0.701783 ------------------------------------------------------------- Excitation n. 13: 21.656223 eV f = 0.0245 = 1.3819 ------------------------------------------------------------- 1A -> 6A = -0.117569 1A -> 8A = -0.668896 1A -> 9A = 0.188629 1B -> 9B = 0.694921 ------------------------------------------------------------- Excitation n. 14: 21.656223 eV f = 0.0245 = 1.3819 ------------------------------------------------------------- 1A -> 5A = 0.117569 1A -> 8A = 0.188629 1A -> 9A = 0.668896 1B -> 8B = 0.694921 ------------------------------------------------------------- Excitation n. 15: 22.236703 eV f = 0.0000 = 0.5861 ------------------------------------------------------------- 1A -> 8A = 0.701327 1B -> 8B = -0.196010 1B -> 9B = 0.673553 ------------------------------------------------------------- Excitation n. 16: 22.236703 eV f = 0.0000 = 0.5861 ------------------------------------------------------------- 1A -> 9A = 0.701327 1B -> 8B = -0.673553 1B -> 9B = -0.196010 ------------------------------------------------------------- Excitation n. 17: 28.989259 eV f = 0.0000 = 1.4475 ------------------------------------------------------------- 1A -> 10A = 0.699259 1B -> 10B = 0.699259 ------------------------------------------------------------- Excitation n. 18: 29.523021 eV f = 0.0228 = 0.5542 ------------------------------------------------------------- 1A -> 10A = 0.700915 1B -> 10B = -0.700915 ------------------------------------------------------------- Excitation n. 19: 34.789984 eV f = 0.0034 = 1.2131 ------------------------------------------------------------- 1A -> 11A = -0.703770 1B -> 11B = 0.703770 ------------------------------------------------------------- Excitation n. 20: 35.248982 eV f = 0.0000 = 0.9548 ------------------------------------------------------------- 1A -> 11A = 0.691401 1A -> 12A = 0.138516 1B -> 11B = 0.691401 1B -> 12B = 0.138516 Thomas-Reiche-Kuhn sum rule = 2.150186 ------------------------------------------------------------------------------- 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 = -1.0116770555 ------------------------------------------------------------------------------- Total CPU time for G0W0 = 0.541 seconds Total CPU time for QuAcK = 20.752 seconds