210 significant shell pairs computed in 0.000116 seconds 0 Computed Electron repulsion integrals Integrals in parallel in 3.618540 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 2.0786987380 ------------------ Nuclear repulsion energy = 0.4810701915 ------------------ 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 = 1.230 seconds Lowdin orthogonalization ************************************************ * Unrestricted Hartree-Fock calculation * ************************************************ ---------------------------------------------------------- | # | E(UHF) | Ex(UHF) | Conv | ---------------------------------------------------------- | 1 | -1.0365231397 | -0.6525601547 | 1.000000 | | 2 | -1.0804995126 | -0.5776914973 | 0.018402 | | 3 | -1.0824238542 | -0.5620026060 | 0.006285 | | 4 | -1.0826400201 | -0.5582358233 | 0.004351 | | 5 | -1.0827534812 | -0.5570140702 | 0.003766 | | 6 | -1.0828443592 | -0.5564064220 | 0.003398 | | 7 | -1.0829201754 | -0.5559895451 | 0.003101 | | 8 | -1.0829838039 | -0.5556598813 | 0.002840 | | 9 | -1.0830373586 | -0.5553863258 | 0.002606 | | 10 | -1.0830825377 | -0.5551557882 | 0.002395 | | 11 | -1.0831207247 | -0.5549604559 | 0.002202 | | 12 | -1.0831530544 | -0.5547945783 | 0.002027 | | 13 | -1.0831804634 | -0.5546535400 | 0.001867 | | 14 | -1.0832037280 | -0.5545335204 | 0.001720 | | 15 | -1.0832234947 | -0.5544313200 | 0.001586 | | 16 | -1.0832403039 | -0.5543442464 | 0.001462 | | 17 | -1.0832546084 | -0.5542700270 | 0.001349 | | 18 | -1.0832667891 | -0.5542067397 | 0.001245 | | 19 | -1.0832771668 | -0.5541527567 | 0.001149 | | 20 | -1.0832860123 | -0.5541066972 | 0.001061 | | 21 | -1.0832935549 | -0.5540673888 | 0.000980 | | 22 | -1.0832999884 | -0.5540338351 | 0.000905 | | 23 | -1.0833054776 | -0.5540051888 | 0.000836 | | 24 | -1.0833101622 | -0.5539807283 | 0.000772 | | 25 | -1.0833141609 | -0.5539598396 | 0.000713 | | 26 | -1.0833175748 | -0.5539419990 | 0.000659 | | 27 | -1.0833204898 | -0.5539267603 | 0.000609 | | 28 | -1.0833229792 | -0.5539137432 | 0.000563 | | 29 | -1.0833251052 | -0.5539026229 | 0.000520 | | 30 | -1.0833269212 | -0.5538931225 | 0.000481 | | 31 | -1.0833284725 | -0.5538850056 | 0.000444 | | 32 | -1.0833297977 | -0.5538780705 | 0.000411 | | 33 | -1.0833309298 | -0.5538721449 | 0.000379 | | 34 | -1.0833318971 | -0.5538670817 | 0.000351 | | 35 | -1.0833327236 | -0.5538627552 | 0.000324 | | 36 | -1.0833334297 | -0.5538590583 | 0.000300 | | 37 | -1.0833340331 | -0.5538558991 | 0.000277 | | 38 | -1.0833345486 | -0.5538531995 | 0.000256 | | 39 | -1.0833349892 | -0.5538508926 | 0.000237 | | 40 | -1.0833353657 | -0.5538489212 | 0.000219 | | 41 | -1.0833356874 | -0.5538472365 | 0.000202 | | 42 | -1.0833359623 | -0.5538457968 | 0.000187 | | 43 | -1.0833361972 | -0.5538445664 | 0.000173 | | 44 | -1.0833363980 | -0.5538435150 | 0.000160 | | 45 | -1.0833365695 | -0.5538426165 | 0.000148 | | 46 | -1.0833367162 | -0.5538418486 | 0.000137 | | 47 | -1.0833368415 | -0.5538411923 | 0.000126 | | 48 | -1.0833369485 | -0.5538406315 | 0.000117 | | 49 | -1.0833370400 | -0.5538401522 | 0.000108 | | 50 | -1.0833371182 | -0.5538397426 | 0.000100 | | 51 | -1.0833371851 | -0.5538393926 | 0.000092 | | 52 | -1.0833372422 | -0.5538390934 | 0.000085 | | 53 | -1.0833372910 | -0.5538388378 | 0.000079 | | 54 | -1.0833373327 | -0.5538386193 | 0.000073 | | 55 | -1.0833373684 | -0.5538384326 | 0.000067 | | 56 | -1.0833373988 | -0.5538382730 | 0.000062 | | 57 | -1.0833374249 | -0.5538381366 | 0.000058 | | 58 | -1.0833374471 | -0.5538380201 | 0.000053 | | 59 | -1.0833374661 | -0.5538379205 | 0.000049 | | 60 | -1.0833374824 | -0.5538378354 | 0.000045 | | 61 | -1.0833374963 | -0.5538377626 | 0.000042 | | 62 | -1.0833375081 | -0.5538377004 | 0.000039 | | 63 | -1.0833375183 | -0.5538376473 | 0.000036 | | 64 | -1.0833375270 | -0.5538376019 | 0.000033 | | 65 | -1.0833375344 | -0.5538375631 | 0.000031 | | 66 | -1.0833375407 | -0.5538375299 | 0.000028 | | 67 | -1.0833375461 | -0.5538375016 | 0.000026 | | 68 | -1.0833375507 | -0.5538374774 | 0.000024 | | 69 | -1.0833375547 | -0.5538374567 | 0.000022 | | 70 | -1.0833375581 | -0.5538374390 | 0.000021 | | 71 | -1.0833375609 | -0.5538374239 | 0.000019 | | 72 | -1.0833375634 | -0.5538374109 | 0.000018 | | 73 | -1.0833375655 | -0.5538373999 | 0.000016 | | 74 | -1.0833375673 | -0.5538373905 | 0.000015 | | 75 | -1.0833375689 | -0.5538373824 | 0.000014 | | 76 | -1.0833375702 | -0.5538373755 | 0.000013 | | 77 | -1.0833375713 | -0.5538373696 | 0.000012 | | 78 | -1.0833375723 | -0.5538373646 | 0.000011 | | 79 | -1.0833375731 | -0.5538373603 | 0.000010 | | 80 | -1.0833375738 | -0.5538373566 | 0.000009 | | 81 | -1.0833375744 | -0.5538373534 | 0.000009 | | 82 | -1.0833375749 | -0.5538373508 | 0.000008 | | 83 | -1.0833375753 | -0.5538373485 | 0.000007 | | 84 | -1.0833375757 | -0.5538373465 | 0.000007 | | 85 | -1.0833375760 | -0.5538373448 | 0.000006 | | 86 | -1.0833375763 | -0.5538373434 | 0.000006 | | 87 | -1.0833375765 | -0.5538373422 | 0.000005 | | 88 | -1.0833375767 | -0.5538373411 | 0.000005 | | 89 | -1.0833375769 | -0.5538373402 | 0.000005 | | 90 | -1.0833375771 | -0.5538373395 | 0.000004 | | 91 | -1.0833375772 | -0.5538373388 | 0.000004 | | 92 | -1.0833375773 | -0.5538373383 | 0.000004 | | 93 | -1.0833375774 | -0.5538373378 | 0.000003 | | 94 | -1.0833375775 | -0.5538373374 | 0.000003 | | 95 | -1.0833375775 | -0.5538373370 | 0.000003 | | 96 | -1.0833375776 | -0.5538373367 | 0.000003 | | 97 | -1.0833375776 | -0.5538373365 | 0.000002 | | 98 | -1.0833375777 | -0.5538373363 | 0.000002 | | 99 | -1.0833375777 | -0.5538373361 | 0.000002 | | 100 | -1.0833375777 | -0.5538373359 | 0.000002 | | 101 | -1.0833375778 | -0.5538373358 | 0.000002 | | 102 | -1.0833375778 | -0.5538373357 | 0.000002 | | 103 | -1.0833375778 | -0.5538373356 | 0.000002 | | 104 | -1.0833375778 | -0.5538373355 | 0.000001 | | 105 | -1.0833375778 | -0.5538373354 | 0.000001 | | 106 | -1.0833375778 | -0.5538373353 | 0.000001 | | 107 | -1.0833375779 | -0.5538373353 | 0.000001 | | 108 | -1.0833375779 | -0.5538373352 | 0.000001 | | 109 | -1.0833375779 | -0.5538373352 | 0.000001 | | 110 | -1.0833375779 | -0.5538373352 | 0.000001 | | 111 | -1.0833375779 | -0.5538373351 | 0.000001 | | 112 | -1.0833375779 | -0.5538373351 | 0.000001 | | 113 | -1.0833375779 | -0.5538373351 | 0.000001 | | 114 | -1.0833375779 | -0.5538373351 | 0.000001 | | 115 | -1.0833375779 | -0.5538373351 | 0.000001 | | 116 | -1.0833375779 | -0.5538373351 | 0.000001 | | 117 | -1.0833375779 | -0.5538373350 | 0.000001 | | 118 | -1.0833375779 | -0.5538373350 | 0.000000 | | 119 | -1.0833375779 | -0.5538373350 | 0.000000 | | 120 | -1.0833375779 | -0.5538373350 | 0.000000 | | 121 | -1.0833375779 | -0.5538373350 | 0.000000 | | 122 | -1.0833375779 | -0.5538373350 | 0.000000 | | 123 | -1.0833375779 | -0.5538373350 | 0.000000 | | 124 | -1.0833375779 | -0.5538373350 | 0.000000 | | 125 | -1.0833375779 | -0.5538373350 | 0.000000 | | 126 | -1.0833375779 | -0.5538373350 | 0.000000 | | 127 | -1.0833375779 | -0.5538373350 | 0.000000 | | 128 | -1.0833375779 | -0.5538373350 | 0.000000 | | 129 | -1.0833375779 | -0.5538373350 | 0.000000 | | 130 | -1.0833375779 | -0.5538373350 | 0.000000 | | 131 | -1.0833375779 | -0.5538373350 | 0.000000 | | 132 | -1.0833375779 | -0.5538373350 | 0.000000 | | 133 | -1.0833375779 | -0.5538373350 | 0.000000 | | 134 | -1.0833375779 | -0.5538373350 | 0.000000 | | 135 | -1.0833375779 | -0.5538373350 | 0.000000 | | 136 | -1.0833375779 | -0.5538373350 | 0.000000 | | 137 | -1.0833375779 | -0.5538373350 | 0.000000 | | 138 | -1.0833375779 | -0.5538373350 | 0.000000 | ---------------------------------------------------------- ------------------------------------------------- Summary ------------------------------------------------- One-electron energy: -2.1182451044 au One-electron a energy: -1.0591225522 au One-electron b energy: -1.0591225522 au Kinetic energy: 0.8657414080 au Kinetic a energy: 0.4328707040 au Kinetic b energy: 0.4328707040 au Potential energy: -2.9839865124 au Potential a energy: -1.4919932562 au Potential b energy: -1.4919932562 au ------------------------------------------------- Two-electron energy: 0.5538373350 au Two-electron aa energy: 0.0000000000 au Two-electron ab energy: 0.5538373350 au Two-electron bb energy: -0.0000000000 au Hartree energy: 1.1076746700 au Hartree aa energy: 0.2769186675 au Hartree ab energy: 0.5538373350 au Hartree bb energy: 0.2769186675 au Exchange energy: -0.5538373350 au Exchange a energy: -0.2769186675 au Exchange b energy: -0.2769186675 au ------------------------------------------------- Electronic energy: -1.5644077694 au Nuclear repulsion: 0.4810701915 au UHF energy: -1.0833375779 au ------------------------------------------------- UHF HOMO a energy: -13.749511 eV UHF LUMO a energy: 2.560041 eV UHF HOMOa-LUMOa gap: 16.309553 eV ------------------------------------------------- UHF HOMO b energy: -13.749511 eV UHF LUMO b energy: 2.560041 eV UHF HOMOb-LUMOb gap : 16.309553 eV ------------------------------------------------- S (exact) : 1.000000 S : 1.000000 (exact) : 0.000000 : 0.000000 ------------------------------------------------- Dipole moment (Debye) X Y Z Tot. 0.000000 0.000000 -0.000000 0.000000 ------------------------------------------------- ----------------------------------------- UHF spin-up orbital coefficients ----------------------------------------- 1 2 3 4 5 1 -0.69626721 -0.51521485 -0.10229806 -0.21462811 0.00000000 2 0.02784803 -0.05944994 -0.19778269 0.30363374 0.00000000 3 0.07273066 0.52610789 1.73061338 -1.95823446 0.00000000 4 0.05744619 -1.54889554 -1.13318449 2.60403596 0.00000000 5 0.00000000 0.00000000 0.00000000 0.00000000 0.06454942 6 0.00000000 0.00000000 0.00000000 0.00000000 0.46824084 7 -0.00590519 -0.02576265 0.02185311 0.12558990 0.00000000 8 0.00000000 0.00000000 0.00000000 0.00000000 -0.23189000 9 0.00000000 0.00000000 0.00000000 0.00000000 -1.68212772 10 0.00313690 0.10699264 -0.06192120 -0.41982664 0.00000000 11 0.00000000 0.00000000 0.00000000 0.00000000 0.11904829 12 0.00000000 0.00000000 0.00000000 0.00000000 0.86357513 13 -0.02559573 -0.05125876 0.02805502 0.45415961 0.00000000 14 -0.00104821 -0.00479834 -0.01639331 0.01257806 0.00000000 15 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 16 0.00000000 0.00000000 0.00000000 0.00000000 0.00070366 17 -0.00104821 -0.00479834 -0.01639331 0.01257806 0.00000000 18 0.00000000 0.00000000 0.00000000 0.00000000 0.00510433 19 -0.00189588 -0.00630778 -0.01676947 0.01840383 0.00000000 20 0.00037415 -0.05869667 -0.20497520 0.20578767 0.00000000 21 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 22 0.00000000 0.00000000 0.00000000 0.00000000 -0.00120896 23 0.00037415 -0.05869667 -0.20497520 0.20578767 0.00000000 24 0.00000000 0.00000000 0.00000000 0.00000000 -0.00876979 25 -0.00449484 -0.08425316 -0.18240726 0.31012131 0.00000000 26 0.00000000 0.00000000 0.00000000 0.00000000 0.09363110 27 0.00000000 0.00000000 0.00000000 0.00000000 0.30374704 28 -0.00225306 -0.01815671 0.01137847 0.07835839 0.00000000 29 0.00000000 0.00000000 0.00000000 0.00000000 0.04187310 30 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 31 0.00000000 0.00000000 0.00000000 0.00000000 0.04260714 32 0.00000000 0.00000000 0.00000000 0.00000000 0.67919903 33 -0.00225306 -0.01815671 0.01137847 0.07835839 0.00000000 34 0.00000000 0.00000000 0.00000000 0.00000000 0.30907175 35 -0.00567197 -0.05292288 0.03064732 0.21987030 0.00000000 36 -0.69626377 0.51521689 -0.10229818 0.21462828 0.00000000 37 0.02784818 0.05945000 -0.19778215 -0.30363479 0.00000000 38 0.07273121 -0.52611102 1.73060841 1.95824033 0.00000000 39 0.05744666 1.54889785 -1.13317518 -2.60403881 0.00000000 40 0.00000000 0.00000000 0.00000000 0.00000000 0.06454935 41 0.00000000 0.00000000 0.00000000 0.00000000 0.46824037 42 0.00590521 -0.02576278 -0.02185339 0.12558959 0.00000000 43 0.00000000 0.00000000 0.00000000 0.00000000 -0.23188977 44 0.00000000 0.00000000 0.00000000 0.00000000 -1.68212611 45 -0.00313691 0.10699302 0.06192216 -0.41982566 0.00000000 46 0.00000000 0.00000000 0.00000000 0.00000000 0.11904809 47 0.00000000 0.00000000 0.00000000 0.00000000 0.86357369 48 0.02559577 -0.05125922 -0.02805579 0.45415887 0.00000000 49 -0.00104821 0.00479837 -0.01639327 -0.01257812 0.00000000 50 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 51 0.00000000 0.00000000 0.00000000 0.00000000 -0.00070366 52 -0.00104821 0.00479837 -0.01639327 -0.01257812 0.00000000 53 0.00000000 0.00000000 0.00000000 0.00000000 -0.00510434 54 -0.00189589 0.00630781 -0.01676942 -0.01840389 0.00000000 55 0.00037415 0.05869697 -0.20497470 -0.20578845 0.00000000 56 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 57 0.00000000 0.00000000 0.00000000 0.00000000 0.00120896 58 0.00037415 0.05869697 -0.20497470 -0.20578845 0.00000000 59 0.00000000 0.00000000 0.00000000 0.00000000 0.00876981 60 -0.00449484 0.08425346 -0.18240654 -0.31012198 0.00000000 61 0.00000000 0.00000000 0.00000000 0.00000000 0.09363100 62 0.00000000 0.00000000 0.00000000 0.00000000 0.30374675 63 0.00225306 -0.01815679 -0.01137865 0.07835820 0.00000000 64 0.00000000 0.00000000 0.00000000 0.00000000 0.04187306 65 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 66 0.00000000 0.00000000 0.00000000 0.00000000 0.04260710 67 0.00000000 0.00000000 0.00000000 0.00000000 0.67919837 68 0.00225306 -0.01815679 -0.01137865 0.07835820 0.00000000 69 0.00000000 0.00000000 0.00000000 0.00000000 0.30907146 70 0.00567198 -0.05292305 -0.03064782 0.21986986 0.00000000 6 7 8 9 10 1 0.00000000 -0.16789000 0.00000000 0.00000000 0.35996464 2 0.00000000 -0.10563398 0.00000000 0.00000000 -0.04787704 3 0.00000000 1.14944151 0.00000000 0.00000000 5.17605937 4 0.00000000 -0.41567886 0.00000000 0.00000000 1.03391921 5 0.46824084 0.00000000 -0.00235720 -0.64855404 0.00000000 6 -0.06454942 0.00000000 0.64855404 -0.00235720 0.00000000 7 0.00000000 -0.63521322 0.00000000 0.00000000 0.48865419 8 -1.68212772 0.00000000 0.00865073 2.38014021 0.00000000 9 0.23189000 0.00000000 -2.38014021 0.00865073 0.00000000 10 0.00000000 2.26580472 0.00000000 0.00000000 -1.73997089 11 0.86357513 0.00000000 -0.00583842 -1.60636955 0.00000000 12 -0.11904829 0.00000000 1.60636955 -0.00583842 0.00000000 13 0.00000000 -1.28963623 0.00000000 0.00000000 4.57910238 14 0.00000000 -0.00538970 0.00000000 0.00000000 0.01232525 15 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 16 0.00510433 0.00000000 0.00002719 0.00748075 0.00000000 17 0.00000000 -0.00538970 0.00000000 0.00000000 0.01232525 18 -0.00070366 0.00000000 -0.00748075 0.00002719 0.00000000 19 0.00000000 0.00118564 0.00000000 0.00000000 -0.01305723 20 0.00000000 -0.06195801 0.00000000 0.00000000 -0.15395622 21 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 22 -0.00876979 0.00000000 -0.00009148 -0.02517091 0.00000000 23 0.00000000 -0.06195801 0.00000000 0.00000000 -0.15395622 24 0.00120896 0.00000000 0.02517091 -0.00009148 0.00000000 25 0.00000000 -0.09711117 0.00000000 0.00000000 0.57858849 26 0.67919903 0.00000000 -0.00341509 -0.93961850 0.00000000 27 -0.04187310 0.00000000 0.42021017 -0.00152727 0.00000000 28 0.00000000 -0.41279378 0.00000000 0.00000000 0.30420549 29 0.30374704 0.00000000 -0.00152727 -0.42021017 0.00000000 30 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 31 0.30907175 0.00000000 -0.00153483 -0.42229008 0.00000000 32 -0.09363110 0.00000000 0.93961850 -0.00341509 0.00000000 33 0.00000000 -0.41279378 0.00000000 0.00000000 0.30420549 34 -0.04260714 0.00000000 0.42229008 -0.00153483 0.00000000 35 0.00000000 -0.90553599 0.00000000 0.00000000 0.85408911 36 0.00000000 -0.16788957 0.00000000 0.00000000 -0.35996190 37 0.00000000 -0.10563417 0.00000000 0.00000000 0.04787856 38 0.00000000 1.14944412 0.00000000 0.00000000 -5.17606598 39 0.00000000 -0.41567929 0.00000000 0.00000000 -1.03391868 40 0.46824037 0.00000000 0.00235720 0.64855476 0.00000000 41 -0.06454935 0.00000000 -0.64855476 0.00235720 0.00000000 42 0.00000000 0.63521317 0.00000000 0.00000000 0.48865486 43 -1.68212611 0.00000000 -0.00865074 -2.38014288 0.00000000 44 0.23188977 0.00000000 2.38014288 -0.00865074 0.00000000 45 0.00000000 -2.26580460 0.00000000 0.00000000 -1.73997337 46 0.86357369 0.00000000 0.00583843 1.60637063 0.00000000 47 -0.11904809 0.00000000 -1.60637063 0.00583843 0.00000000 48 0.00000000 1.28963502 0.00000000 0.00000000 4.57910344 49 0.00000000 -0.00538970 0.00000000 0.00000000 -0.01232519 50 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 51 -0.00510434 0.00000000 0.00002719 0.00748075 0.00000000 52 0.00000000 -0.00538970 0.00000000 0.00000000 -0.01232519 53 0.00070366 0.00000000 -0.00748075 0.00002719 0.00000000 54 0.00000000 0.00118563 0.00000000 0.00000000 0.01305731 55 0.00000000 -0.06195815 0.00000000 0.00000000 0.15395732 56 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 57 0.00876981 0.00000000 -0.00009148 -0.02517094 0.00000000 58 0.00000000 -0.06195815 0.00000000 0.00000000 0.15395732 59 -0.00120896 0.00000000 0.02517094 -0.00009148 0.00000000 60 0.00000000 -0.09711122 0.00000000 0.00000000 -0.57858759 61 0.67919837 0.00000000 0.00341509 0.93961955 0.00000000 62 -0.04187306 0.00000000 -0.42021064 0.00152727 0.00000000 63 0.00000000 0.41279375 0.00000000 0.00000000 0.30420593 64 0.30374675 0.00000000 0.00152727 0.42021064 0.00000000 65 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 66 0.30907146 0.00000000 0.00153483 0.42229056 0.00000000 67 -0.09363100 0.00000000 -0.93961955 0.00341509 0.00000000 68 0.00000000 0.41279375 0.00000000 0.00000000 0.30420593 69 -0.04260710 0.00000000 -0.42229056 0.00153483 0.00000000 70 0.00000000 0.90553592 0.00000000 0.00000000 0.85409009 11 12 13 14 15 1 -1.95553705 -1.90856132 0.00000000 0.00000000 0.41483773 2 -0.94139584 -1.32897588 0.00000000 0.00000000 0.27627912 3 4.38261369 7.93215737 0.00000000 0.00000000 -1.23200861 4 -0.28377076 -1.02428294 0.00000000 0.00000000 0.16954798 5 0.00000000 0.00000000 1.41630356 0.25472727 0.00000000 6 0.00000000 0.00000000 -0.25472727 1.41630356 0.00000000 7 0.26037334 -0.08001492 0.00000000 0.00000000 1.53145853 8 0.00000000 0.00000000 -5.35247126 -0.96266115 0.00000000 9 0.00000000 0.00000000 0.96266115 -5.35247126 0.00000000 10 -0.96443773 0.27729006 0.00000000 0.00000000 -5.76818655 11 0.00000000 0.00000000 0.97419547 0.17521255 0.00000000 12 0.00000000 0.00000000 -0.17521255 0.97419547 0.00000000 13 0.33204742 1.61983567 0.00000000 0.00000000 1.33433774 14 -0.04231689 -0.02487235 0.00000000 0.00000000 0.00990621 15 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 16 0.00000000 0.00000000 0.02257946 0.00406100 0.00000000 17 -0.04231689 -0.02487235 0.00000000 0.00000000 0.00990621 18 0.00000000 0.00000000 -0.00406100 0.02257946 0.00000000 19 -0.04987357 -0.05567347 0.00000000 0.00000000 -0.01752355 20 -0.72252307 -0.82307582 0.00000000 0.00000000 0.10191316 21 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 22 0.00000000 0.00000000 -0.11250680 -0.02023475 0.00000000 23 -0.72252307 -0.82307582 0.00000000 0.00000000 0.10191316 24 0.00000000 0.00000000 0.02023475 -0.11250680 0.00000000 25 -0.65130684 -0.71203426 0.00000000 0.00000000 0.27986442 26 0.00000000 0.00000000 2.08925945 0.37576081 0.00000000 27 0.00000000 0.00000000 -0.16804534 0.93434523 0.00000000 28 0.16594019 -0.05568629 0.00000000 0.00000000 1.01294747 29 0.00000000 0.00000000 0.93434523 0.16804534 0.00000000 30 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 31 0.00000000 0.00000000 0.95297857 0.17139661 0.00000000 32 0.00000000 0.00000000 -0.37576081 2.08925945 0.00000000 33 0.16594019 -0.05568629 0.00000000 0.00000000 1.01294747 34 0.00000000 0.00000000 -0.17139661 0.95297857 0.00000000 35 0.38380974 -0.16543882 0.00000000 0.00000000 2.22827988 36 -1.95553252 1.90856701 0.00000000 0.00000000 0.41483837 37 -0.94139200 1.32897841 0.00000000 0.00000000 0.27627933 38 4.38258304 -7.93216937 0.00000000 0.00000000 -1.23201144 39 -0.28376876 1.02428341 0.00000000 0.00000000 0.16954767 40 0.00000000 0.00000000 1.41630224 0.25472704 0.00000000 41 0.00000000 0.00000000 -0.25472704 1.41630224 0.00000000 42 -0.26037279 -0.08001391 0.00000000 0.00000000 -1.53145829 43 0.00000000 0.00000000 -5.35246611 -0.96266023 0.00000000 44 0.00000000 0.00000000 0.96266023 -5.35246611 0.00000000 45 0.96443572 0.27728625 0.00000000 0.00000000 5.76818552 46 0.00000000 0.00000000 0.97419402 0.17521229 0.00000000 47 0.00000000 0.00000000 -0.17521229 0.97419402 0.00000000 48 -0.33203585 1.61983689 0.00000000 0.00000000 -1.33433607 49 -0.04231684 0.02487248 0.00000000 0.00000000 0.00990620 50 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 51 0.00000000 0.00000000 -0.02257947 -0.00406100 0.00000000 52 -0.04231684 0.02487248 0.00000000 0.00000000 0.00990620 53 0.00000000 0.00000000 0.00406100 -0.02257947 0.00000000 54 -0.04987340 0.05567362 0.00000000 0.00000000 -0.01752354 55 -0.72252062 0.82307796 0.00000000 0.00000000 0.10191340 56 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 57 0.00000000 0.00000000 0.11250689 0.02023477 0.00000000 58 -0.72252062 0.82307796 0.00000000 0.00000000 0.10191340 59 0.00000000 0.00000000 -0.02023477 0.11250689 0.00000000 60 -0.65130586 0.71203615 0.00000000 0.00000000 0.27986408 61 0.00000000 0.00000000 2.08925752 0.37576046 0.00000000 62 0.00000000 0.00000000 -0.16804519 0.93434437 0.00000000 63 -0.16593986 -0.05568563 0.00000000 0.00000000 -1.01294731 64 0.00000000 0.00000000 0.93434437 0.16804519 0.00000000 65 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 66 0.00000000 0.00000000 0.95297769 0.17139646 0.00000000 67 0.00000000 0.00000000 -0.37576046 2.08925752 0.00000000 68 -0.16593986 -0.05568563 0.00000000 0.00000000 -1.01294731 69 0.00000000 0.00000000 -0.17139646 0.95297769 0.00000000 70 -0.38380884 -0.16543733 0.00000000 0.00000000 -2.22827943 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 0.00000000 0.00000000 -1.67968436 -0.09464472 0.58956167 6 0.00000000 0.00000000 0.09464472 -1.67968436 -0.04353438 7 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 8 0.00000000 0.00000000 6.41527352 0.36147969 -2.21267349 9 0.00000000 0.00000000 -0.36147969 6.41527352 0.16338811 10 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 11 0.00000000 0.00000000 -1.58657727 -0.08939844 0.29404907 12 0.00000000 0.00000000 0.08939844 -1.58657727 -0.02171315 13 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 14 -0.08478413 0.00015378 0.00000000 0.00000000 0.00000000 15 -0.00017757 -0.09790028 0.00000000 0.00000000 0.00000000 16 0.00000000 0.00000000 0.02422025 0.00136473 -0.09270488 17 0.08478413 -0.00015378 0.00000000 0.00000000 0.00000000 18 0.00000000 0.00000000 -0.00136473 0.02422025 0.00684551 19 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 20 0.59199536 -0.00107372 0.00000000 0.00000000 0.00000000 21 0.00123983 0.68357736 0.00000000 0.00000000 0.00000000 22 0.00000000 0.00000000 -0.19608702 -0.01104886 0.66490158 23 -0.59199536 0.00107372 0.00000000 0.00000000 0.00000000 24 0.00000000 0.00000000 0.01104886 -0.19608702 -0.04909762 25 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 26 0.00000000 0.00000000 -2.46177548 -0.13871300 0.88472637 27 0.00000000 0.00000000 0.06203434 -1.10093946 -0.02921643 28 -0.00605388 0.00001098 0.00000000 0.00000000 0.00000000 29 0.00000000 0.00000000 -1.10093946 -0.06203434 0.39566166 30 -0.00001268 -0.00699042 0.00000000 0.00000000 0.00000000 31 0.00000000 0.00000000 -1.11684219 -0.06293041 0.33828117 32 0.00000000 0.00000000 0.13871300 -2.46177548 -0.06532991 33 0.00605388 -0.00001098 0.00000000 0.00000000 0.00000000 34 0.00000000 0.00000000 0.06293041 -1.11684219 -0.02497934 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 1.67968516 0.09464477 0.58956330 41 0.00000000 0.00000000 -0.09464477 1.67968516 -0.04353450 42 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 43 0.00000000 0.00000000 -6.41527638 -0.36147985 -2.21267968 44 0.00000000 0.00000000 0.36147985 -6.41527638 0.16338857 45 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 46 0.00000000 0.00000000 1.58657774 0.08939847 0.29405034 47 0.00000000 0.00000000 -0.08939847 1.58657774 -0.02171325 48 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 49 -0.08478410 0.00015378 0.00000000 0.00000000 0.00000000 50 -0.00017756 -0.09790024 0.00000000 0.00000000 0.00000000 51 0.00000000 0.00000000 0.02422015 0.00136473 0.09270489 52 0.08478410 -0.00015378 0.00000000 0.00000000 0.00000000 53 0.00000000 0.00000000 -0.00136473 0.02422015 -0.00684551 54 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 55 0.59199504 -0.00107372 0.00000000 0.00000000 0.00000000 56 0.00123983 0.68357699 0.00000000 0.00000000 0.00000000 57 0.00000000 0.00000000 -0.19608632 -0.01104882 -0.66490153 58 -0.59199504 0.00107372 0.00000000 0.00000000 0.00000000 59 0.00000000 0.00000000 0.01104882 -0.19608632 0.04909762 60 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 61 0.00000000 0.00000000 2.46177663 0.13871306 0.88472875 62 0.00000000 0.00000000 -0.06203437 1.10093998 -0.02921650 63 0.00605388 -0.00001098 0.00000000 0.00000000 0.00000000 64 0.00000000 0.00000000 1.10093998 0.06203437 0.39566273 65 0.00001268 0.00699042 0.00000000 0.00000000 0.00000000 66 0.00000000 0.00000000 1.11684276 0.06293044 0.33828225 67 0.00000000 0.00000000 -0.13871306 2.46177663 -0.06533009 68 -0.00605388 0.00001098 0.00000000 0.00000000 0.00000000 69 0.00000000 0.00000000 -0.06293044 1.11684276 -0.02497942 70 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 21 22 23 24 25 1 0.00000000 0.00000000 0.00000000 -0.15317397 0.87271407 2 0.00000000 0.00000000 0.00000000 0.41721317 0.58810813 3 0.00000000 0.00000000 0.00000000 3.45180672 -2.95750050 4 0.00000000 0.00000000 0.00000000 1.01753659 0.10691535 5 -0.04353438 0.00000000 0.00000000 0.00000000 0.00000000 6 -0.58956167 0.00000000 0.00000000 0.00000000 0.00000000 7 0.00000000 0.00000000 0.00000000 0.80198366 -0.38059045 8 0.16338811 0.00000000 0.00000000 0.00000000 0.00000000 9 2.21267349 0.00000000 0.00000000 0.00000000 0.00000000 10 0.00000000 0.00000000 0.00000000 -2.80788820 1.48392784 11 -0.02171315 0.00000000 0.00000000 0.00000000 0.00000000 12 -0.29404907 0.00000000 0.00000000 0.00000000 0.00000000 13 0.00000000 0.00000000 0.00000000 3.94323612 -0.72817626 14 0.00000000 -0.09653125 0.00009994 0.03742842 -0.00276711 15 0.00000000 0.00011540 0.11146469 0.00000000 0.00000000 16 0.00684551 0.00000000 0.00000000 0.00000000 0.00000000 17 0.00000000 0.09653125 -0.00009994 0.03742842 -0.00276711 18 0.09270488 0.00000000 0.00000000 0.00000000 0.00000000 19 0.00000000 0.00000000 0.00000000 -0.01492183 0.17740289 20 0.00000000 0.76015940 -0.00078697 -0.07499520 1.35407212 21 0.00000000 -0.00090871 -0.87775646 0.00000000 0.00000000 22 -0.04909762 0.00000000 0.00000000 0.00000000 0.00000000 23 0.00000000 -0.76015940 0.00078697 -0.07499520 1.35407212 24 -0.66490158 0.00000000 0.00000000 0.00000000 0.00000000 25 0.00000000 0.00000000 0.00000000 2.07977972 -0.09912892 26 -0.06532991 0.00000000 0.00000000 0.00000000 0.00000000 27 -0.39566166 0.00000000 0.00000000 0.00000000 0.00000000 28 0.00000000 -0.00817793 0.00000847 0.51184970 -0.25447884 29 -0.02921643 0.00000000 0.00000000 0.00000000 0.00000000 30 0.00000000 0.00000978 0.00944306 0.00000000 0.00000000 31 -0.02497934 0.00000000 0.00000000 0.00000000 0.00000000 32 -0.88472637 0.00000000 0.00000000 0.00000000 0.00000000 33 0.00000000 0.00817793 -0.00000847 0.51184970 -0.25447884 34 -0.33828117 0.00000000 0.00000000 0.00000000 0.00000000 35 0.00000000 0.00000000 0.00000000 1.56914818 -0.52199034 36 0.00000000 0.00000000 0.00000000 0.15317416 0.87271327 37 0.00000000 0.00000000 0.00000000 -0.41721330 0.58810801 38 0.00000000 0.00000000 0.00000000 -3.45180727 -2.95749346 39 0.00000000 0.00000000 0.00000000 -1.01753658 0.10691473 40 -0.04353450 0.00000000 0.00000000 0.00000000 0.00000000 41 -0.58956330 0.00000000 0.00000000 0.00000000 0.00000000 42 0.00000000 0.00000000 0.00000000 0.80198426 0.38059077 43 0.16338857 0.00000000 0.00000000 0.00000000 0.00000000 44 2.21267968 0.00000000 0.00000000 0.00000000 0.00000000 45 0.00000000 0.00000000 0.00000000 -2.80789030 -1.48392917 46 -0.02171325 0.00000000 0.00000000 0.00000000 0.00000000 47 -0.29405034 0.00000000 0.00000000 0.00000000 0.00000000 48 0.00000000 0.00000000 0.00000000 3.94323643 0.72817424 49 0.00000000 0.09653130 -0.00009994 -0.03742840 -0.00276715 50 0.00000000 -0.00011540 -0.11146474 0.00000000 0.00000000 51 -0.00684551 0.00000000 0.00000000 0.00000000 0.00000000 52 0.00000000 -0.09653130 0.00009994 -0.03742840 -0.00276715 53 -0.09270489 0.00000000 0.00000000 0.00000000 0.00000000 54 0.00000000 0.00000000 0.00000000 0.01492185 0.17740277 55 0.00000000 -0.76015965 0.00078697 0.07499539 1.35407069 56 0.00000000 0.00090871 0.87775676 0.00000000 0.00000000 57 0.04909762 0.00000000 0.00000000 0.00000000 0.00000000 58 0.00000000 0.76015965 -0.00078697 0.07499539 1.35407069 59 0.66490153 0.00000000 0.00000000 0.00000000 0.00000000 60 0.00000000 0.00000000 0.00000000 -2.07977943 -0.09912909 61 -0.06533009 0.00000000 0.00000000 0.00000000 0.00000000 62 -0.39566273 0.00000000 0.00000000 0.00000000 0.00000000 63 0.00000000 -0.00817793 0.00000847 0.51185009 0.25447904 64 -0.02921650 0.00000000 0.00000000 0.00000000 0.00000000 65 0.00000000 0.00000978 0.00944306 0.00000000 0.00000000 66 -0.02497942 0.00000000 0.00000000 0.00000000 0.00000000 67 -0.88472875 0.00000000 0.00000000 0.00000000 0.00000000 68 0.00000000 0.00817793 -0.00000847 0.51185009 0.25447904 69 -0.33828225 0.00000000 0.00000000 0.00000000 0.00000000 70 0.00000000 0.00000000 0.00000000 1.56914904 0.52199079 26 27 28 29 30 1 0.00000000 0.00000000 -0.93986439 0.92613491 0.51089035 2 0.00000000 0.00000000 -0.01717994 -0.65022306 -0.71731880 3 0.00000000 0.00000000 7.42663854 -2.90575811 0.15027838 4 0.00000000 0.00000000 -0.64344011 0.19746710 -0.24492814 5 0.59365271 -0.12609160 0.00000000 0.00000000 0.00000000 6 0.12609160 0.59365271 0.00000000 0.00000000 0.00000000 7 0.00000000 0.00000000 -0.35557837 0.31960912 -3.20145999 8 -2.25589512 0.47915122 0.00000000 0.00000000 0.00000000 9 -0.47915122 -2.25589512 0.00000000 0.00000000 0.00000000 10 0.00000000 0.00000000 1.37271450 -1.24007069 9.78579194 11 -0.45874527 0.09743731 0.00000000 0.00000000 0.00000000 12 -0.09743731 -0.45874527 0.00000000 0.00000000 0.00000000 13 0.00000000 0.00000000 2.04020276 0.46674273 -0.95314660 14 0.00000000 0.00000000 -0.03774718 0.10854519 0.05121933 15 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 16 0.14041941 -0.02982503 0.00000000 0.00000000 0.00000000 17 0.00000000 0.00000000 -0.03774718 0.10854519 0.05121933 18 0.02982503 0.14041941 0.00000000 0.00000000 0.00000000 19 0.00000000 0.00000000 -0.13585247 -0.01686518 -0.07074141 20 0.00000000 0.00000000 -1.58645003 0.74980881 -0.14533809 21 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 22 -1.48385606 0.31517043 0.00000000 0.00000000 0.00000000 23 0.00000000 0.00000000 -1.58645003 0.74980881 -0.14533809 24 -0.31517043 -1.48385606 0.00000000 0.00000000 0.00000000 25 0.00000000 0.00000000 -0.26871012 1.52801964 0.35952549 26 0.86499768 -0.18372516 0.00000000 0.00000000 0.00000000 27 0.08216439 0.38683872 0.00000000 0.00000000 0.00000000 28 0.00000000 0.00000000 -0.22270529 0.23267722 -2.11031870 29 0.38683872 -0.08216439 0.00000000 0.00000000 0.00000000 30 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 31 0.31971798 -0.06790797 0.00000000 0.00000000 0.00000000 32 0.18372516 0.86499768 0.00000000 0.00000000 0.00000000 33 0.00000000 0.00000000 -0.22270529 0.23267722 -2.11031870 34 0.06790797 0.31971798 0.00000000 0.00000000 0.00000000 35 0.00000000 0.00000000 -0.49766592 0.40364563 -4.72034635 36 0.00000000 0.00000000 0.93985676 0.92614337 0.51089122 37 0.00000000 0.00000000 0.01718615 -0.65022319 -0.71731593 38 0.00000000 0.00000000 -7.42661432 -2.90582494 0.15028156 39 0.00000000 0.00000000 0.64343831 0.19747303 -0.24492753 40 -0.59365277 0.12609161 0.00000000 0.00000000 0.00000000 41 -0.12609161 -0.59365277 0.00000000 0.00000000 0.00000000 42 0.00000000 0.00000000 -0.35557502 -0.31961270 3.20146166 43 2.25589528 -0.47915125 0.00000000 0.00000000 0.00000000 44 0.47915125 2.25589528 0.00000000 0.00000000 0.00000000 45 0.00000000 0.00000000 1.37270156 1.24008455 -9.78580160 46 0.45874525 -0.09743731 0.00000000 0.00000000 0.00000000 47 0.09743731 0.45874525 0.00000000 0.00000000 0.00000000 48 0.00000000 0.00000000 2.04020769 -0.46672469 0.95314216 49 0.00000000 0.00000000 0.03774618 0.10854553 0.05121941 50 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 51 0.14041944 -0.02982503 0.00000000 0.00000000 0.00000000 52 0.00000000 0.00000000 0.03774618 0.10854553 0.05121941 53 0.02982503 0.14041944 0.00000000 0.00000000 0.00000000 54 0.00000000 0.00000000 0.13585277 -0.01686395 -0.07074159 55 0.00000000 0.00000000 1.58644431 0.74982319 -0.14533786 56 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 57 -1.48385618 0.31517046 0.00000000 0.00000000 0.00000000 58 0.00000000 0.00000000 1.58644431 0.74982319 -0.14533786 59 -0.31517046 -1.48385618 0.00000000 0.00000000 0.00000000 60 0.00000000 0.00000000 0.26869603 1.52802212 0.35953188 61 -0.86499776 0.18372518 0.00000000 0.00000000 0.00000000 62 -0.08216440 -0.38683876 0.00000000 0.00000000 0.00000000 63 0.00000000 0.00000000 -0.22270288 -0.23267946 2.11031965 64 -0.38683876 0.08216440 0.00000000 0.00000000 0.00000000 65 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 66 -0.31971801 0.06790798 0.00000000 0.00000000 0.00000000 67 -0.18372518 -0.86499776 0.00000000 0.00000000 0.00000000 68 0.00000000 0.00000000 -0.22270288 -0.23267946 2.11031965 69 -0.06790798 -0.31971801 0.00000000 0.00000000 0.00000000 70 0.00000000 0.00000000 -0.49766162 -0.40365073 4.72034788 31 32 33 34 35 1 0.00000000 0.00000000 0.50783505 0.00000000 0.00000000 2 0.00000000 0.00000000 1.96102928 0.00000000 0.00000000 3 0.00000000 0.00000000 1.89836903 0.00000000 0.00000000 4 0.00000000 0.00000000 0.36399049 0.00000000 0.00000000 5 2.70340475 0.76998220 0.00000000 3.25542826 0.37528927 6 -0.76998220 2.70340475 0.00000000 -0.37528927 3.25542826 7 0.00000000 0.00000000 -1.44651454 0.00000000 0.00000000 8 -8.36705252 -2.38309912 0.00000000 -10.32711564 -1.19052098 9 2.38309912 -8.36705252 0.00000000 1.19052098 -10.32711564 10 0.00000000 0.00000000 7.49727694 0.00000000 0.00000000 11 0.78419585 0.22335421 0.00000000 1.19688068 0.13797769 12 -0.22335421 0.78419585 0.00000000 -0.13797769 1.19688068 13 0.00000000 0.00000000 2.68938086 0.00000000 0.00000000 14 0.00000000 0.00000000 0.05171220 0.00000000 0.00000000 15 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 16 0.02726882 0.00776669 0.00000000 -0.00812628 -0.00093681 17 0.00000000 0.00000000 0.05171220 0.00000000 0.00000000 18 -0.00776669 0.02726882 0.00000000 0.00093681 -0.00812628 19 0.00000000 0.00000000 -0.12023195 0.00000000 0.00000000 20 0.00000000 0.00000000 0.19034196 0.00000000 0.00000000 21 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 22 0.01526556 0.00434793 0.00000000 -0.16482811 -0.01900156 23 0.00000000 0.00000000 0.19034196 0.00000000 0.00000000 24 -0.00434793 0.01526556 0.00000000 0.01900156 -0.16482811 25 0.00000000 0.00000000 4.23698029 0.00000000 0.00000000 26 4.03129750 1.14819185 0.00000000 4.83225610 0.55706767 27 -0.51348701 1.80285105 0.00000000 -0.24912824 2.16105062 28 0.00000000 0.00000000 -0.82002989 0.00000000 0.00000000 29 1.80285105 0.51348701 0.00000000 2.16105062 0.24912824 30 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 31 1.87306910 0.53348647 0.00000000 2.15245778 0.24813764 32 -1.14819185 4.03129750 0.00000000 -0.55706767 4.83225610 33 0.00000000 0.00000000 -0.82002989 0.00000000 0.00000000 34 -0.53348647 1.87306910 0.00000000 -0.24813764 2.15245778 35 0.00000000 0.00000000 -1.51287302 0.00000000 0.00000000 36 0.00000000 0.00000000 -0.50783422 0.00000000 0.00000000 37 0.00000000 0.00000000 -1.96103031 0.00000000 0.00000000 38 0.00000000 0.00000000 -1.89836879 0.00000000 0.00000000 39 0.00000000 0.00000000 -0.36399089 0.00000000 0.00000000 40 2.70340134 0.76998123 0.00000000 -3.25543111 -0.37528959 41 -0.76998123 2.70340134 0.00000000 0.37528959 -3.25543111 42 0.00000000 0.00000000 -1.44650968 0.00000000 0.00000000 43 -8.36704172 -2.38309604 0.00000000 10.32712450 1.19052200 44 2.38309604 -8.36704172 0.00000000 -1.19052200 10.32712450 45 0.00000000 0.00000000 7.49726205 0.00000000 0.00000000 46 0.78419457 0.22335385 0.00000000 -1.19688149 -0.13797778 47 -0.22335385 0.78419457 0.00000000 0.13797778 -1.19688149 48 0.00000000 0.00000000 2.68938232 0.00000000 0.00000000 49 0.00000000 0.00000000 -0.05171212 0.00000000 0.00000000 50 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 51 -0.02726883 -0.00776669 0.00000000 -0.00812624 -0.00093680 52 0.00000000 0.00000000 -0.05171212 0.00000000 0.00000000 53 0.00776669 -0.02726883 0.00000000 0.00093680 -0.00812624 54 0.00000000 0.00000000 0.12023183 0.00000000 0.00000000 55 0.00000000 0.00000000 -0.19034219 0.00000000 0.00000000 56 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 57 -0.01526574 -0.00434798 0.00000000 -0.16482810 -0.01900156 58 0.00000000 0.00000000 -0.19034219 0.00000000 0.00000000 59 0.00434798 -0.01526574 0.00000000 0.01900156 -0.16482810 60 0.00000000 0.00000000 -4.23697983 0.00000000 0.00000000 61 4.03129251 1.14819043 0.00000000 -4.83226041 -0.55706817 62 -0.51348637 1.80284882 0.00000000 0.24912846 -2.16105255 63 0.00000000 0.00000000 -0.82002667 0.00000000 0.00000000 64 1.80284882 0.51348637 0.00000000 -2.16105255 -0.24912846 65 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 66 1.87306687 0.53348584 0.00000000 -2.15245980 -0.24813788 67 -1.14819043 4.03129251 0.00000000 0.55706817 -4.83226041 68 0.00000000 0.00000000 -0.82002667 0.00000000 0.00000000 69 -0.53348584 1.87306687 0.00000000 0.24813788 -2.15245980 70 0.00000000 0.00000000 -1.51286579 0.00000000 0.00000000 36 37 38 39 40 1 -1.13137886 0.00000000 0.00000000 0.00000000 0.00000000 2 2.20239209 0.00000000 0.00000000 0.00000000 0.00000000 3 0.10024058 0.00000000 0.00000000 0.00000000 0.00000000 4 -0.11380670 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 -5.63374129 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 20.21907127 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 -1.04501042 0.00000000 0.00000000 0.00000000 0.00000000 14 -0.03263319 0.02805679 0.00005127 0.00000000 0.00000000 15 0.00000000 -0.00005921 0.03239719 0.00000000 0.00000000 16 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 17 -0.03263319 -0.02805679 -0.00005127 0.00000000 0.00000000 18 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 19 -0.11631549 0.00000000 0.00000000 0.00000000 0.00000000 20 0.33928988 -0.08761254 -0.00016011 0.00000000 0.00000000 21 0.00000000 0.00018488 -0.10116625 0.00000000 0.00000000 22 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 23 0.33928988 0.08761254 0.00016011 0.00000000 0.00000000 24 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 25 2.63118335 0.00000000 0.00000000 0.00000000 0.00000000 26 0.00000000 0.00000000 0.00000000 -0.06136398 -0.54237346 27 0.00000000 0.00000000 0.00000000 -0.72767036 0.08232842 28 -3.42397706 0.55431239 0.00101301 0.00000000 0.00000000 29 0.00000000 0.00000000 0.00000000 0.08232842 0.72767036 30 0.00000000 -0.00116972 0.64006482 0.00000000 0.00000000 31 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 32 0.00000000 0.00000000 0.00000000 0.54237346 -0.06136398 33 -3.42397706 -0.55431239 -0.00101301 0.00000000 0.00000000 34 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 35 -8.58207717 0.00000000 0.00000000 0.00000000 0.00000000 36 1.13137858 0.00000000 0.00000000 0.00000000 0.00000000 37 -2.20239193 0.00000000 0.00000000 0.00000000 0.00000000 38 -0.10024040 0.00000000 0.00000000 0.00000000 0.00000000 39 0.11380677 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 -5.63374157 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 20.21907216 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 -1.04501047 0.00000000 0.00000000 0.00000000 0.00000000 49 0.03263318 0.02805679 0.00005127 0.00000000 0.00000000 50 0.00000000 -0.00005921 0.03239719 0.00000000 0.00000000 51 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 52 0.03263318 -0.02805679 -0.00005127 0.00000000 0.00000000 53 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 54 0.11631553 0.00000000 0.00000000 0.00000000 0.00000000 55 -0.33928988 -0.08761257 -0.00016011 0.00000000 0.00000000 56 0.00000000 0.00018488 -0.10116628 0.00000000 0.00000000 57 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 58 -0.33928988 0.08761257 0.00016011 0.00000000 0.00000000 59 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 60 -2.63118347 0.00000000 0.00000000 0.00000000 0.00000000 61 0.00000000 0.00000000 0.00000000 -0.06136395 -0.54237325 62 0.00000000 0.00000000 0.00000000 -0.72767008 0.08232838 63 -3.42397727 -0.55431233 -0.00101301 0.00000000 0.00000000 64 0.00000000 0.00000000 0.00000000 0.08232838 0.72767008 65 0.00000000 0.00116972 -0.64006475 0.00000000 0.00000000 66 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 67 0.00000000 0.00000000 0.00000000 0.54237325 -0.06136395 68 -3.42397727 0.55431233 0.00101301 0.00000000 0.00000000 69 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 70 -8.58207763 0.00000000 0.00000000 0.00000000 0.00000000 41 42 43 44 45 1 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 2 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 3 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 4 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 5 0.04142832 0.29232068 0.00000000 0.00000000 0.00000000 6 0.29232068 -0.04142832 0.00000000 0.00000000 0.00000000 7 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 8 -0.10594996 -0.74758916 0.00000000 0.00000000 0.00000000 9 -0.74758916 0.10594996 0.00000000 0.00000000 0.00000000 10 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 11 0.00073259 0.00516922 0.00000000 0.00000000 0.00000000 12 0.00516922 -0.00073259 0.00000000 0.00000000 0.00000000 13 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 14 0.00000000 0.00000000 0.00000000 0.00000000 0.03310243 15 0.00000000 0.00000000 0.00000000 0.00000000 -0.00000518 16 -0.03195039 -0.22544386 0.00000000 0.00000000 0.00000000 17 0.00000000 0.00000000 0.00000000 0.00000000 -0.03310243 18 -0.22544386 0.03195039 0.00000000 0.00000000 0.00000000 19 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 20 0.00000000 0.00000000 0.00000000 0.00000000 0.16519438 21 0.00000000 0.00000000 0.00000000 0.00000000 -0.00002586 22 0.01907071 0.13456408 0.00000000 0.00000000 0.00000000 23 0.00000000 0.00000000 0.00000000 0.00000000 -0.16519438 24 0.13456408 -0.01907071 0.00000000 0.00000000 0.00000000 25 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 26 0.11141232 0.78613194 0.57311584 -0.01005538 0.00000000 27 0.35156889 -0.04982511 -0.01349070 -0.76891559 0.00000000 28 0.00000000 0.00000000 0.00000000 0.00000000 0.72276210 29 0.04982511 0.35156889 -0.76891559 0.01349070 0.00000000 30 0.00000000 0.00000000 0.00000000 0.00000000 -0.00011316 31 -0.06271858 -0.44254599 0.00000000 0.00000000 0.00000000 32 0.78613194 -0.11141232 0.01005538 0.57311584 0.00000000 33 0.00000000 0.00000000 0.00000000 0.00000000 -0.72276210 34 -0.44254599 0.06271858 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 0.04142832 0.29232069 0.00000000 0.00000000 0.00000000 41 0.29232069 -0.04142832 0.00000000 0.00000000 0.00000000 42 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 43 -0.10594996 -0.74758918 0.00000000 0.00000000 0.00000000 44 -0.74758918 0.10594996 0.00000000 0.00000000 0.00000000 45 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 46 0.00073260 0.00516923 0.00000000 0.00000000 0.00000000 47 0.00516923 -0.00073260 0.00000000 0.00000000 0.00000000 48 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 49 0.00000000 0.00000000 0.00000000 0.00000000 -0.03310242 50 0.00000000 0.00000000 0.00000000 0.00000000 0.00000518 51 0.03195039 0.22544384 0.00000000 0.00000000 0.00000000 52 0.00000000 0.00000000 0.00000000 0.00000000 0.03310242 53 0.22544384 -0.03195039 0.00000000 0.00000000 0.00000000 54 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 55 0.00000000 0.00000000 0.00000000 0.00000000 -0.16519438 56 0.00000000 0.00000000 0.00000000 0.00000000 0.00002586 57 -0.01907072 -0.13456412 0.00000000 0.00000000 0.00000000 58 0.00000000 0.00000000 0.00000000 0.00000000 0.16519438 59 -0.13456412 0.01907072 0.00000000 0.00000000 0.00000000 60 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 61 0.11141232 0.78613194 -0.57311604 0.01005538 0.00000000 62 0.35156889 -0.04982511 0.01349071 0.76891586 0.00000000 63 0.00000000 0.00000000 0.00000000 0.00000000 0.72276214 64 0.04982511 0.35156889 0.76891586 -0.01349071 0.00000000 65 0.00000000 0.00000000 0.00000000 0.00000000 -0.00011316 66 -0.06271857 -0.44254593 0.00000000 0.00000000 0.00000000 67 0.78613194 -0.11141232 -0.01005538 -0.57311604 0.00000000 68 0.00000000 0.00000000 0.00000000 0.00000000 -0.72276214 69 -0.44254593 0.06271857 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 1.99142065 0.00000000 0.00000000 0.00000000 2 0.00000000 -0.21245114 0.00000000 0.00000000 0.00000000 3 0.00000000 -1.19455286 0.00000000 0.00000000 0.00000000 4 0.00000000 -0.51211642 0.00000000 0.00000000 0.00000000 5 0.00000000 0.00000000 0.00000000 0.00000000 -0.70921182 6 0.00000000 0.00000000 0.00000000 0.00000000 0.03224183 7 0.00000000 1.55062055 0.00000000 0.00000000 0.00000000 8 0.00000000 0.00000000 0.00000000 0.00000000 2.57732045 9 0.00000000 0.00000000 0.00000000 0.00000000 -0.11716884 10 0.00000000 -4.99460990 0.00000000 0.00000000 0.00000000 11 0.00000000 0.00000000 0.00000000 0.00000000 0.33914469 12 0.00000000 0.00000000 0.00000000 0.00000000 -0.01541802 13 0.00000000 0.49833084 0.00000000 0.00000000 0.00000000 14 -0.00000449 0.19187204 -0.00514324 -0.74355015 0.00000000 15 -0.03822339 0.00000000 0.85857775 -0.00593890 0.00000000 16 0.00000000 0.00000000 0.00000000 0.00000000 -0.69227270 17 0.00000449 0.19187204 0.00514324 0.74355015 0.00000000 18 0.00000000 0.00000000 0.00000000 0.00000000 0.03147175 19 0.00000000 -0.55791521 0.00000000 0.00000000 0.00000000 20 -0.00002240 -0.08710185 0.00226567 0.32754416 0.00000000 21 -0.19075004 0.00000000 -0.37821542 0.00261617 0.00000000 22 0.00000000 0.00000000 0.00000000 0.00000000 1.44030672 23 0.00002240 -0.08710185 -0.00226567 -0.32754416 0.00000000 24 0.00000000 0.00000000 0.00000000 0.00000000 -0.06547850 25 0.00000000 0.06974291 0.00000000 0.00000000 0.00000000 26 0.00000000 0.00000000 0.00000000 0.00000000 -1.45957540 27 0.00000000 0.00000000 0.00000000 0.00000000 0.02967463 28 -0.00009800 1.42329070 0.00006851 0.00990510 0.00000000 29 0.00000000 0.00000000 0.00000000 0.00000000 -0.65274196 30 -0.83457378 0.00000000 -0.01143742 0.00007911 0.00000000 31 0.00000000 0.00000000 0.00000000 0.00000000 0.51094398 32 0.00000000 0.00000000 0.00000000 0.00000000 0.06635448 33 0.00009800 1.42329070 -0.00006851 -0.00990510 0.00000000 34 0.00000000 0.00000000 0.00000000 0.00000000 -0.02322828 35 0.00000000 1.96111813 0.00000000 0.00000000 0.00000000 36 0.00000000 1.99142059 0.00000000 0.00000000 0.00000000 37 0.00000000 -0.21245119 0.00000000 0.00000000 0.00000000 38 0.00000000 -1.19455286 0.00000000 0.00000000 0.00000000 39 0.00000000 -0.51211641 0.00000000 0.00000000 0.00000000 40 0.00000000 0.00000000 0.00000000 0.00000000 0.70921174 41 0.00000000 0.00000000 0.00000000 0.00000000 -0.03224183 42 0.00000000 -1.55062074 0.00000000 0.00000000 0.00000000 43 0.00000000 0.00000000 0.00000000 0.00000000 -2.57732008 44 0.00000000 0.00000000 0.00000000 0.00000000 0.11716882 45 0.00000000 4.99461046 0.00000000 0.00000000 0.00000000 46 0.00000000 0.00000000 0.00000000 0.00000000 -0.33914470 47 0.00000000 0.00000000 0.00000000 0.00000000 0.01541803 48 0.00000000 -0.49833082 0.00000000 0.00000000 0.00000000 49 0.00000449 0.19187204 -0.00514323 -0.74354923 0.00000000 50 0.03822338 0.00000000 0.85857669 -0.00593889 0.00000000 51 0.00000000 0.00000000 0.00000000 0.00000000 -0.69227167 52 -0.00000449 0.19187204 0.00514323 0.74354923 0.00000000 53 0.00000000 0.00000000 0.00000000 0.00000000 0.03147170 54 0.00000000 -0.55791515 0.00000000 0.00000000 0.00000000 55 0.00002240 -0.08710186 0.00226566 0.32754361 0.00000000 56 0.19075004 0.00000000 -0.37821478 0.00261616 0.00000000 57 0.00000000 0.00000000 0.00000000 0.00000000 1.44030620 58 -0.00002240 -0.08710186 -0.00226566 -0.32754361 0.00000000 59 0.00000000 0.00000000 0.00000000 0.00000000 -0.06547847 60 0.00000000 0.06974279 0.00000000 0.00000000 0.00000000 61 0.00000000 0.00000000 0.00000000 0.00000000 1.45957491 62 0.00000000 0.00000000 0.00000000 0.00000000 -0.02967462 63 -0.00009800 -1.42329080 -0.00006851 -0.00990499 0.00000000 64 0.00000000 0.00000000 0.00000000 0.00000000 0.65274174 65 -0.83457384 0.00000000 0.01143729 -0.00007911 0.00000000 66 0.00000000 0.00000000 0.00000000 0.00000000 -0.51094376 67 0.00000000 0.00000000 0.00000000 0.00000000 -0.06635446 68 0.00009800 -1.42329080 0.00006851 0.00990499 0.00000000 69 0.00000000 0.00000000 0.00000000 0.00000000 0.02322827 70 0.00000000 -1.96111836 0.00000000 0.00000000 0.00000000 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 -0.03224183 0.00000000 0.00000000 -0.03342430 -0.05565734 6 -0.70921182 0.00000000 0.00000000 -0.05565734 0.03342430 7 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 8 0.11716884 0.00000000 0.00000000 0.17174854 0.28599157 9 2.57732045 0.00000000 0.00000000 0.28599157 -0.17174854 10 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 11 0.01541802 0.00000000 0.00000000 -0.00641667 -0.01068489 12 0.33914469 0.00000000 0.00000000 -0.01068489 0.00641667 13 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 14 0.00000000 -0.76275533 0.00328158 0.00000000 0.00000000 15 0.00000000 0.00378924 0.88075399 0.00000000 0.00000000 16 -0.03147175 0.00000000 0.00000000 -0.44558953 -0.74198506 17 0.00000000 0.76275533 -0.00328158 0.00000000 0.00000000 18 -0.69227270 0.00000000 0.00000000 -0.74198506 0.44558953 19 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 20 0.00000000 0.45111706 -0.00194083 0.00000000 0.00000000 21 0.00000000 -0.00224108 -0.52090511 0.00000000 0.00000000 22 0.06547850 0.00000000 0.00000000 0.21972790 0.36588566 23 0.00000000 -0.45111706 0.00194083 0.00000000 0.00000000 24 1.44030672 0.00000000 0.00000000 0.36588566 -0.21972790 25 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 26 -0.06635448 0.00000000 0.00000000 -0.21976051 -0.36593996 27 -0.65274196 0.00000000 0.00000000 -0.16365333 0.09827989 28 0.00000000 0.08316040 -0.00035778 0.00000000 0.00000000 29 -0.02967463 0.00000000 0.00000000 -0.09827989 -0.16365333 30 0.00000000 -0.00041313 -0.09602536 0.00000000 0.00000000 31 0.02322828 0.00000000 0.00000000 0.09314895 0.15510942 32 -1.45957540 0.00000000 0.00000000 -0.36593996 0.21976051 33 0.00000000 -0.08316040 0.00035778 0.00000000 0.00000000 34 0.51094398 0.00000000 0.00000000 0.15510942 -0.09314895 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 0.03224183 0.00000000 0.00000000 -0.03342477 -0.05565812 41 0.70921174 0.00000000 0.00000000 -0.05565812 0.03342477 42 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 43 -0.11716882 0.00000000 0.00000000 0.17175027 0.28599445 44 -2.57732008 0.00000000 0.00000000 0.28599445 -0.17175027 45 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 46 -0.01541803 0.00000000 0.00000000 -0.00641648 -0.01068456 47 -0.33914470 0.00000000 0.00000000 -0.01068456 0.00641648 48 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 49 0.00000000 0.76275622 -0.00328159 0.00000000 0.00000000 50 0.00000000 -0.00378925 -0.88075502 0.00000000 0.00000000 51 -0.03147170 0.00000000 0.00000000 0.44558992 0.74198570 52 0.00000000 -0.76275622 0.00328159 0.00000000 0.00000000 53 -0.69227167 0.00000000 0.00000000 0.74198570 -0.44558992 54 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 55 0.00000000 -0.45111745 0.00194083 0.00000000 0.00000000 56 0.00000000 0.00224108 0.52090556 0.00000000 0.00000000 57 0.06547847 0.00000000 0.00000000 -0.21972879 -0.36588714 58 0.00000000 0.45111745 -0.00194083 0.00000000 0.00000000 59 1.44030620 0.00000000 0.00000000 -0.36588714 0.21972879 60 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 61 0.06635446 0.00000000 0.00000000 -0.21976150 -0.36594160 62 0.65274174 0.00000000 0.00000000 -0.16365406 0.09828033 63 0.00000000 0.08316041 -0.00035778 0.00000000 0.00000000 64 0.02967462 0.00000000 0.00000000 -0.09828033 -0.16365406 65 0.00000000 -0.00041313 -0.09602537 0.00000000 0.00000000 66 -0.02322827 0.00000000 0.00000000 0.09314930 0.15510999 67 1.45957491 0.00000000 0.00000000 -0.36594160 0.21976150 68 0.00000000 -0.08316041 0.00035778 0.00000000 0.00000000 69 -0.51094376 0.00000000 0.00000000 0.15510999 -0.09314930 70 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 56 57 58 59 60 1 -0.40265969 -3.40170896 0.00000000 0.00000000 8.34792104 2 3.27910452 -0.03786858 0.00000000 0.00000000 -1.47642231 3 3.36602203 2.65714043 0.00000000 0.00000000 -6.85571878 4 0.31666314 0.87307358 0.00000000 0.00000000 -1.93109276 5 0.00000000 0.00000000 -0.95896089 -0.10415231 0.00000000 6 0.00000000 0.00000000 0.10415231 -0.95896089 0.00000000 7 -4.11531155 -1.42612134 0.00000000 0.00000000 0.17888031 8 0.00000000 0.00000000 4.38758611 0.47653373 0.00000000 9 0.00000000 0.00000000 -0.47653373 4.38758611 0.00000000 10 15.11599601 5.10172417 0.00000000 0.00000000 -1.67899439 11 0.00000000 0.00000000 -0.30598717 -0.03323313 0.00000000 12 0.00000000 0.00000000 0.03323313 -0.30598717 0.00000000 13 2.63011967 0.02912094 0.00000000 0.00000000 -0.30850123 14 0.20531038 0.44115069 0.00000000 0.00000000 -0.56098668 15 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 16 0.00000000 0.00000000 0.55623492 0.06041242 0.00000000 17 0.20531038 0.44115069 0.00000000 0.00000000 -0.56098668 18 0.00000000 0.00000000 -0.06041242 0.55623492 0.00000000 19 -0.59628850 -0.74362574 0.00000000 0.00000000 0.09116040 20 -0.13061156 -0.69093760 0.00000000 0.00000000 0.81359953 21 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 22 0.00000000 0.00000000 0.39175336 0.04254815 0.00000000 23 -0.13061156 -0.69093760 0.00000000 0.00000000 0.81359953 24 0.00000000 0.00000000 -0.04254815 0.39175336 0.00000000 25 5.37789178 0.83244534 0.00000000 0.00000000 0.71960075 26 0.00000000 0.00000000 -2.49481742 -0.27096099 0.00000000 27 0.00000000 0.00000000 0.12117744 -1.11571627 0.00000000 28 -2.51124762 -1.66032871 0.00000000 0.00000000 0.53648682 29 0.00000000 0.00000000 -1.11571627 -0.12117744 0.00000000 30 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 31 0.00000000 0.00000000 -0.01551602 -0.00168519 0.00000000 32 0.00000000 0.00000000 0.27096099 -2.49481742 0.00000000 33 -2.51124762 -1.66032871 0.00000000 0.00000000 0.53648682 34 0.00000000 0.00000000 0.00168519 -0.01551602 0.00000000 35 -3.56398351 -2.12480964 0.00000000 0.00000000 1.31756254 36 0.40265899 -3.40170651 0.00000000 0.00000000 -8.34791448 37 -3.27910455 -0.03786861 0.00000000 0.00000000 1.47642027 38 -3.36602151 2.65713885 0.00000000 0.00000000 6.85571468 39 -0.31666295 0.87307308 0.00000000 0.00000000 1.93109097 40 0.00000000 0.00000000 0.95896075 0.10415229 0.00000000 41 0.00000000 0.00000000 -0.10415229 0.95896075 0.00000000 42 -4.11531131 1.42612170 0.00000000 0.00000000 0.17888158 43 0.00000000 0.00000000 -4.38758521 -0.47653363 0.00000000 44 0.00000000 0.00000000 0.47653363 -4.38758521 0.00000000 45 15.11599545 -5.10172509 0.00000000 0.00000000 -1.67899940 46 0.00000000 0.00000000 0.30598711 0.03323312 0.00000000 47 0.00000000 0.00000000 -0.03323312 0.30598711 0.00000000 48 2.63011961 -0.02912131 0.00000000 0.00000000 -0.30850107 49 -0.20531029 0.44115056 0.00000000 0.00000000 0.56098649 50 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 51 0.00000000 0.00000000 0.55623502 0.06041243 0.00000000 52 -0.20531029 0.44115056 0.00000000 0.00000000 0.56098649 53 0.00000000 0.00000000 -0.06041243 0.55623502 0.00000000 54 0.59628837 -0.74362579 0.00000000 0.00000000 -0.09116102 55 0.13061142 -0.69093737 0.00000000 0.00000000 -0.81359929 56 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 57 0.00000000 0.00000000 0.39175332 0.04254815 0.00000000 58 0.13061142 -0.69093737 0.00000000 0.00000000 -0.81359929 59 0.00000000 0.00000000 -0.04254815 0.39175332 0.00000000 60 -5.37789158 0.83244632 0.00000000 0.00000000 -0.71959968 61 0.00000000 0.00000000 2.49481690 0.27096093 0.00000000 62 0.00000000 0.00000000 -0.12117741 1.11571604 0.00000000 63 -2.51124739 1.66032875 0.00000000 0.00000000 0.53648835 64 0.00000000 0.00000000 1.11571604 0.12117741 0.00000000 65 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 66 0.00000000 0.00000000 0.01551580 0.00168516 0.00000000 67 0.00000000 0.00000000 -0.27096093 2.49481690 0.00000000 68 -2.51124739 1.66032875 0.00000000 0.00000000 0.53648835 69 0.00000000 0.00000000 -0.00168516 0.01551580 0.00000000 70 -3.56398338 2.12480938 0.00000000 0.00000000 1.31756477 61 62 63 64 65 1 0.00000000 0.00000000 -8.51533343 -1.90559033 0.00000000 2 0.00000000 0.00000000 2.21352016 -3.04430800 0.00000000 3 0.00000000 0.00000000 5.42088204 0.77702677 0.00000000 4 0.00000000 0.00000000 2.32774411 0.58204785 0.00000000 5 -0.87672924 -0.18334014 0.00000000 0.00000000 -0.88190776 6 0.18334014 -0.87672924 0.00000000 0.00000000 -0.03124232 7 0.00000000 0.00000000 1.02480731 5.58816250 0.00000000 8 5.99062435 1.25274926 0.00000000 0.00000000 5.96368556 9 -1.25274926 5.99062435 0.00000000 0.00000000 0.21126857 10 0.00000000 0.00000000 -4.72749354 -23.76091371 0.00000000 11 -0.40599638 -0.08490128 0.00000000 0.00000000 -0.57466714 12 0.08490128 -0.40599638 0.00000000 0.00000000 -0.02035807 13 0.00000000 0.00000000 0.28192718 -0.33378064 0.00000000 14 0.00000000 0.00000000 0.39243528 0.24935724 0.00000000 15 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 16 0.06972287 0.01458033 0.00000000 0.00000000 -0.19948480 17 0.00000000 0.00000000 0.39243528 0.24935724 0.00000000 18 -0.01458033 0.06972287 0.00000000 0.00000000 -0.00706692 19 0.00000000 0.00000000 0.38430550 0.18290922 0.00000000 20 0.00000000 0.00000000 -0.49433542 -0.39848691 0.00000000 21 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 22 -0.04531633 -0.00947647 0.00000000 0.00000000 -0.16660635 23 0.00000000 0.00000000 -0.49433542 -0.39848691 0.00000000 24 0.00947647 -0.04531633 0.00000000 0.00000000 -0.00590217 25 0.00000000 0.00000000 -0.81542637 -4.83722405 0.00000000 26 -3.41626319 -0.71440320 0.00000000 0.00000000 -3.21634167 27 0.31949082 -1.52779934 0.00000000 0.00000000 -0.05095624 28 0.00000000 0.00000000 1.33661300 4.63612605 0.00000000 29 -1.52779934 -0.31949082 0.00000000 0.00000000 -1.43839172 30 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 31 -1.48034373 -0.30956698 0.00000000 0.00000000 -1.91299238 32 0.71440320 -3.41626319 0.00000000 0.00000000 -0.11394161 33 0.00000000 0.00000000 1.33661300 4.63612605 0.00000000 34 0.30956698 -1.48034373 0.00000000 0.00000000 -0.06776936 35 0.00000000 0.00000000 2.29784611 8.39101789 0.00000000 36 0.00000000 0.00000000 -8.51533773 1.90560157 0.00000000 37 0.00000000 0.00000000 2.21352545 3.04430503 0.00000000 38 0.00000000 0.00000000 5.42088658 -0.77703390 0.00000000 39 0.00000000 0.00000000 2.32774491 -0.58205093 0.00000000 40 -0.87672859 -0.18334000 0.00000000 0.00000000 0.88190843 41 0.18334000 -0.87672859 0.00000000 0.00000000 0.03124235 42 0.00000000 0.00000000 -1.02479962 5.58816388 0.00000000 43 5.99061991 1.25274833 0.00000000 0.00000000 -5.96369040 44 -1.25274833 5.99061991 0.00000000 0.00000000 -0.21126875 45 0.00000000 0.00000000 4.72746026 -23.76091989 0.00000000 46 -0.40599594 -0.08490119 0.00000000 0.00000000 0.57466747 47 0.08490119 -0.40599594 0.00000000 0.00000000 0.02035808 48 0.00000000 0.00000000 -0.28192785 -0.33378031 0.00000000 49 0.00000000 0.00000000 0.39243541 -0.24935774 0.00000000 50 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 51 -0.06972311 -0.01458038 0.00000000 0.00000000 -0.19948477 52 0.00000000 0.00000000 0.39243541 -0.24935774 0.00000000 53 0.01458038 -0.06972311 0.00000000 0.00000000 -0.00706692 54 0.00000000 0.00000000 0.38430510 -0.18290978 0.00000000 55 0.00000000 0.00000000 -0.49433555 0.39848753 0.00000000 56 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 57 0.04531615 0.00947644 0.00000000 0.00000000 -0.16660638 58 0.00000000 0.00000000 -0.49433555 0.39848753 0.00000000 59 -0.00947644 0.04531615 0.00000000 0.00000000 -0.00590217 60 0.00000000 0.00000000 -0.81542050 4.83722518 0.00000000 61 -3.41626082 -0.71440270 0.00000000 0.00000000 3.21634445 62 0.31949060 -1.52779829 0.00000000 0.00000000 0.05095628 63 0.00000000 0.00000000 -1.33660635 4.63612783 0.00000000 64 -1.52779829 -0.31949060 0.00000000 0.00000000 1.43839296 65 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 66 -1.48034215 -0.30956665 0.00000000 0.00000000 1.91299358 67 0.71440270 -3.41626082 0.00000000 0.00000000 0.11394171 68 0.00000000 0.00000000 -1.33660635 4.63612783 0.00000000 69 0.30956665 -1.48034215 0.00000000 0.00000000 0.06776941 70 0.00000000 0.00000000 -2.29783368 8.39102084 0.00000000 66 67 68 69 70 1 0.00000000 4.50313507 0.03303869 -54.60129506 -59.80976045 2 0.00000000 -1.42534007 1.04473769 26.73898439 28.50181898 3 0.00000000 -2.89526996 0.85512503 31.86599862 37.34408617 4 0.00000000 -1.19358702 0.32770153 15.49024136 16.62574719 5 -0.03124232 0.00000000 0.00000000 0.00000000 0.00000000 6 0.88190776 0.00000000 0.00000000 0.00000000 0.00000000 7 0.00000000 -0.06054692 -1.94391542 0.02371725 0.89974858 8 0.21126857 0.00000000 0.00000000 0.00000000 0.00000000 9 -5.96368556 0.00000000 0.00000000 0.00000000 0.00000000 10 0.00000000 -2.88003565 7.47281622 -0.14730244 -3.16259988 11 -0.02035807 0.00000000 0.00000000 0.00000000 0.00000000 12 0.57466714 0.00000000 0.00000000 0.00000000 0.00000000 13 0.00000000 0.47457638 1.57041468 -0.05031534 1.46384726 14 0.00000000 -0.02996470 0.22737191 -3.52522740 -3.80518537 15 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 16 -0.00706692 0.00000000 0.00000000 0.00000000 0.00000000 17 0.00000000 -0.02996470 0.22737191 -3.52522740 -3.80518537 18 0.19948480 0.00000000 0.00000000 0.00000000 0.00000000 19 0.00000000 -0.63815230 1.43033588 -3.61109774 -3.31973719 20 0.00000000 0.09055318 0.35324520 -3.25308083 -3.74750015 21 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 22 -0.00590217 0.00000000 0.00000000 0.00000000 0.00000000 23 0.00000000 0.09055318 0.35324520 -3.25308083 -3.74750015 24 0.16660635 0.00000000 0.00000000 0.00000000 0.00000000 25 0.00000000 0.90320771 3.81039022 -3.35098560 -3.06575765 26 -0.11394161 0.00000000 0.00000000 0.00000000 0.00000000 27 1.43839172 0.00000000 0.00000000 0.00000000 0.00000000 28 0.00000000 0.48182395 -1.19164028 0.11038994 0.59147325 29 -0.05095624 0.00000000 0.00000000 0.00000000 0.00000000 30 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 31 -0.06776936 0.00000000 0.00000000 0.00000000 0.00000000 32 3.21634167 0.00000000 0.00000000 0.00000000 0.00000000 33 0.00000000 0.48182395 -1.19164028 0.11038994 0.59147325 34 1.91299238 0.00000000 0.00000000 0.00000000 0.00000000 35 0.00000000 2.11807962 -0.14727013 0.05506256 2.23240619 36 0.00000000 4.50313604 -0.03303831 -54.60129400 59.80976144 37 0.00000000 -1.42534017 -1.04473778 26.73898388 -28.50181946 38 0.00000000 -2.89527056 -0.85512525 31.86599796 -37.34408675 39 0.00000000 -1.19358723 -0.32770163 15.49024107 -16.62574747 40 0.03124235 0.00000000 0.00000000 0.00000000 0.00000000 41 -0.88190843 0.00000000 0.00000000 0.00000000 0.00000000 42 0.00000000 0.06054693 -1.94391540 -0.02371724 0.89974858 43 -0.21126875 0.00000000 0.00000000 0.00000000 0.00000000 44 5.96369040 0.00000000 0.00000000 0.00000000 0.00000000 45 0.00000000 2.88003597 7.47281609 0.14730238 -3.16259988 46 0.02035808 0.00000000 0.00000000 0.00000000 0.00000000 47 -0.57466747 0.00000000 0.00000000 0.00000000 0.00000000 48 0.00000000 -0.47457649 1.57041468 0.05031537 1.46384726 49 0.00000000 -0.02996475 -0.22737192 -3.52522733 3.80518543 50 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 51 -0.00706692 0.00000000 0.00000000 0.00000000 0.00000000 52 0.00000000 -0.02996475 -0.22737192 -3.52522733 3.80518543 53 0.19948477 0.00000000 0.00000000 0.00000000 0.00000000 54 0.00000000 -0.63815233 -1.43033591 -3.61109768 3.31973725 55 0.00000000 0.09055325 -0.35324519 -3.25308077 3.74750021 56 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 57 -0.00590217 0.00000000 0.00000000 0.00000000 0.00000000 58 0.00000000 0.09055325 -0.35324519 -3.25308077 3.74750021 59 0.16660638 0.00000000 0.00000000 0.00000000 0.00000000 60 0.00000000 0.90320791 -3.81039020 -3.35098554 3.06575771 61 0.11394171 0.00000000 0.00000000 0.00000000 0.00000000 62 -1.43839296 0.00000000 0.00000000 0.00000000 0.00000000 63 0.00000000 -0.48182406 -1.19164024 -0.11038993 0.59147325 64 0.05095628 0.00000000 0.00000000 0.00000000 0.00000000 65 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 66 0.06776941 0.00000000 0.00000000 0.00000000 0.00000000 67 -3.21634445 0.00000000 0.00000000 0.00000000 0.00000000 68 0.00000000 -0.48182406 -1.19164024 -0.11038993 0.59147325 69 -1.91299358 0.00000000 0.00000000 0.00000000 0.00000000 70 0.00000000 -2.11807994 -0.14727005 -0.05506252 2.23240619 ----------------------------------------- UHF spin-down orbital coefficients ----------------------------------------- 1 2 3 4 5 1 -0.69626377 0.51521689 -0.10229818 -0.21462828 0.00000000 2 0.02784818 0.05945000 -0.19778215 0.30363479 0.00000000 3 0.07273121 -0.52611102 1.73060841 -1.95824033 0.00000000 4 0.05744666 1.54889785 -1.13317518 2.60403881 0.00000000 5 0.00000000 0.00000000 0.00000000 0.00000000 -0.34631238 6 0.00000000 0.00000000 0.00000000 0.00000000 0.32168836 7 -0.00590521 0.02576278 0.02185339 0.12558959 0.00000000 8 0.00000000 0.00000000 0.00000000 0.00000000 1.24410695 9 0.00000000 0.00000000 0.00000000 0.00000000 -1.15564659 10 0.00313691 -0.10699302 -0.06192216 -0.41982566 0.00000000 11 0.00000000 0.00000000 0.00000000 0.00000000 -0.63870243 12 0.00000000 0.00000000 0.00000000 0.00000000 0.59328845 13 -0.02559577 0.05125922 0.02805579 0.45415887 0.00000000 14 -0.00104821 0.00479837 -0.01639327 0.01257812 0.00000000 15 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 16 0.00000000 0.00000000 0.00000000 0.00000000 -0.00377519 17 -0.00104821 0.00479837 -0.01639327 0.01257812 0.00000000 18 0.00000000 0.00000000 0.00000000 0.00000000 0.00350676 19 -0.00189589 0.00630781 -0.01676942 0.01840389 0.00000000 20 0.00037415 0.05869697 -0.20497470 0.20578845 0.00000000 21 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 22 0.00000000 0.00000000 0.00000000 0.00000000 0.00648619 23 0.00037415 0.05869697 -0.20497470 0.20578845 0.00000000 24 0.00000000 0.00000000 0.00000000 0.00000000 -0.00602500 25 -0.00449484 0.08425346 -0.18240654 0.31012198 0.00000000 26 0.00000000 0.00000000 0.00000000 0.00000000 -0.50233773 27 0.00000000 0.00000000 0.00000000 0.00000000 0.20867870 28 -0.00225306 0.01815679 0.01137865 0.07835820 0.00000000 29 0.00000000 0.00000000 0.00000000 0.00000000 -0.22465226 30 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 31 0.00000000 0.00000000 0.00000000 0.00000000 -0.22859044 32 0.00000000 0.00000000 0.00000000 0.00000000 0.46661976 33 -0.00225306 0.01815679 0.01137865 0.07835820 0.00000000 34 0.00000000 0.00000000 0.00000000 0.00000000 0.21233686 35 -0.00567198 0.05292305 0.03064782 0.21986986 0.00000000 36 -0.69626721 -0.51521485 -0.10229806 0.21462811 0.00000000 37 0.02784803 -0.05944994 -0.19778269 -0.30363374 0.00000000 38 0.07273066 0.52610789 1.73061338 1.95823446 0.00000000 39 0.05744619 -1.54889554 -1.13318449 -2.60403596 0.00000000 40 0.00000000 0.00000000 0.00000000 0.00000000 -0.34631272 41 0.00000000 0.00000000 0.00000000 0.00000000 0.32168868 42 0.00590519 0.02576265 -0.02185311 0.12558990 0.00000000 43 0.00000000 0.00000000 0.00000000 0.00000000 1.24410814 44 0.00000000 0.00000000 0.00000000 0.00000000 -1.15564769 45 -0.00313690 -0.10699264 0.06192120 -0.41982664 0.00000000 46 0.00000000 0.00000000 0.00000000 0.00000000 -0.63870349 47 0.00000000 0.00000000 0.00000000 0.00000000 0.59328944 48 0.02559573 0.05125876 -0.02805502 0.45415961 0.00000000 49 -0.00104821 -0.00479834 -0.01639331 -0.01257806 0.00000000 50 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 51 0.00000000 0.00000000 0.00000000 0.00000000 0.00377518 52 -0.00104821 -0.00479834 -0.01639331 -0.01257806 0.00000000 53 0.00000000 0.00000000 0.00000000 0.00000000 -0.00350675 54 -0.00189588 -0.00630778 -0.01676947 -0.01840383 0.00000000 55 0.00037415 -0.05869667 -0.20497520 -0.20578767 0.00000000 56 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 57 0.00000000 0.00000000 0.00000000 0.00000000 -0.00648617 58 0.00037415 -0.05869667 -0.20497520 -0.20578767 0.00000000 59 0.00000000 0.00000000 0.00000000 0.00000000 0.00602498 60 -0.00449484 -0.08425316 -0.18240726 -0.31012131 0.00000000 61 0.00000000 0.00000000 0.00000000 0.00000000 -0.50233822 62 0.00000000 0.00000000 0.00000000 0.00000000 0.20867890 63 0.00225306 0.01815671 -0.01137847 0.07835839 0.00000000 64 0.00000000 0.00000000 0.00000000 0.00000000 -0.22465248 65 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 66 0.00000000 0.00000000 0.00000000 0.00000000 -0.22859066 67 0.00000000 0.00000000 0.00000000 0.00000000 0.46662021 68 0.00225306 0.01815671 -0.01137847 0.07835839 0.00000000 69 0.00000000 0.00000000 0.00000000 0.00000000 0.21233706 70 0.00567197 0.05292288 -0.03064732 0.21987030 0.00000000 6 7 8 9 10 1 0.00000000 0.16788957 0.00000000 0.00000000 -0.35996190 2 0.00000000 0.10563417 0.00000000 0.00000000 0.04787856 3 0.00000000 -1.14944412 0.00000000 0.00000000 -5.17606598 4 0.00000000 0.41567929 0.00000000 0.00000000 -1.03391868 5 0.32168836 0.00000000 -0.01500539 0.64838544 0.00000000 6 0.34631238 0.00000000 -0.64838544 -0.01500539 0.00000000 7 0.00000000 0.63521317 0.00000000 0.00000000 -0.48865486 8 -1.15564659 0.00000000 0.05506855 -2.37952147 0.00000000 9 -1.24410695 0.00000000 2.37952147 0.05506855 0.00000000 10 0.00000000 -2.26580460 0.00000000 0.00000000 1.73997337 11 0.59328845 0.00000000 -0.03716605 1.60595124 0.00000000 12 0.63870243 0.00000000 -1.60595124 -0.03716605 0.00000000 13 0.00000000 1.28963502 0.00000000 0.00000000 -4.57910344 14 0.00000000 0.00538970 0.00000000 0.00000000 -0.01232519 15 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 16 0.00350676 0.00000000 0.00017308 -0.00747880 0.00000000 17 0.00000000 0.00538970 0.00000000 0.00000000 -0.01232519 18 0.00377519 0.00000000 0.00747880 0.00017308 0.00000000 19 0.00000000 -0.00118563 0.00000000 0.00000000 0.01305731 20 0.00000000 0.06195815 0.00000000 0.00000000 0.15395732 21 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 22 -0.00602500 0.00000000 -0.00058237 0.02516437 0.00000000 23 0.00000000 0.06195815 0.00000000 0.00000000 0.15395732 24 -0.00648619 0.00000000 -0.02516437 -0.00058237 0.00000000 25 0.00000000 0.09711122 0.00000000 0.00000000 -0.57858759 26 0.46661976 0.00000000 -0.02173966 0.93937423 0.00000000 27 0.22465226 0.00000000 -0.42010093 -0.00972227 0.00000000 28 0.00000000 0.41279375 0.00000000 0.00000000 -0.30420593 29 0.20867870 0.00000000 -0.00972227 0.42010093 0.00000000 30 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 31 0.21233686 0.00000000 -0.00977039 0.42218030 0.00000000 32 0.50233773 0.00000000 -0.93937423 -0.02173966 0.00000000 33 0.00000000 0.41279375 0.00000000 0.00000000 -0.30420593 34 0.22859044 0.00000000 -0.42218030 -0.00977039 0.00000000 35 0.00000000 0.90553592 0.00000000 0.00000000 -0.85409009 36 0.00000000 0.16789000 0.00000000 0.00000000 0.35996464 37 0.00000000 0.10563398 0.00000000 0.00000000 -0.04787704 38 0.00000000 -1.14944151 0.00000000 0.00000000 5.17605937 39 0.00000000 0.41567886 0.00000000 0.00000000 1.03391921 40 0.32168868 0.00000000 0.01500537 -0.64838472 0.00000000 41 0.34631272 0.00000000 0.64838472 0.01500537 0.00000000 42 0.00000000 -0.63521322 0.00000000 0.00000000 -0.48865419 43 -1.15564769 0.00000000 -0.05506849 2.37951880 0.00000000 44 -1.24410814 0.00000000 -2.37951880 -0.05506849 0.00000000 45 0.00000000 2.26580472 0.00000000 0.00000000 1.73997089 46 0.59328944 0.00000000 0.03716603 -1.60595016 0.00000000 47 0.63870349 0.00000000 1.60595016 0.03716603 0.00000000 48 0.00000000 -1.28963623 0.00000000 0.00000000 -4.57910238 49 0.00000000 0.00538970 0.00000000 0.00000000 0.01232525 50 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 51 -0.00350675 0.00000000 0.00017308 -0.00747880 0.00000000 52 0.00000000 0.00538970 0.00000000 0.00000000 0.01232525 53 -0.00377518 0.00000000 0.00747880 0.00017308 0.00000000 54 0.00000000 -0.00118564 0.00000000 0.00000000 -0.01305723 55 0.00000000 0.06195801 0.00000000 0.00000000 -0.15395622 56 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 57 0.00602498 0.00000000 -0.00058237 0.02516434 0.00000000 58 0.00000000 0.06195801 0.00000000 0.00000000 -0.15395622 59 0.00648617 0.00000000 -0.02516434 -0.00058237 0.00000000 60 0.00000000 0.09711117 0.00000000 0.00000000 0.57858849 61 0.46662021 0.00000000 0.02173963 -0.93937318 0.00000000 62 0.22465248 0.00000000 0.42010046 0.00972226 0.00000000 63 0.00000000 -0.41279378 0.00000000 0.00000000 -0.30420549 64 0.20867890 0.00000000 0.00972226 -0.42010046 0.00000000 65 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 66 0.21233706 0.00000000 0.00977038 -0.42217983 0.00000000 67 0.50233822 0.00000000 0.93937318 0.02173963 0.00000000 68 0.00000000 -0.41279378 0.00000000 0.00000000 -0.30420549 69 0.22859066 0.00000000 0.42217983 0.00977038 0.00000000 70 0.00000000 -0.90553599 0.00000000 0.00000000 -0.85408911 11 12 13 14 15 1 -1.95553252 -1.90856701 0.00000000 0.00000000 0.41483837 2 -0.94139200 -1.32897841 0.00000000 0.00000000 0.27627933 3 4.38258304 7.93216937 0.00000000 0.00000000 -1.23201144 4 -0.28376876 -1.02428341 0.00000000 0.00000000 0.16954767 5 0.00000000 0.00000000 -1.41396311 0.26740648 0.00000000 6 0.00000000 0.00000000 0.26740648 1.41396311 0.00000000 7 0.26037279 -0.08001391 0.00000000 0.00000000 1.53145829 8 0.00000000 0.00000000 5.34362610 -1.01057818 0.00000000 9 0.00000000 0.00000000 -1.01057818 -5.34362610 0.00000000 10 -0.96443572 0.27728625 0.00000000 0.00000000 -5.76818552 11 0.00000000 0.00000000 -0.97258506 0.18393376 0.00000000 12 0.00000000 0.00000000 0.18393376 0.97258506 0.00000000 13 0.33203585 1.61983689 0.00000000 0.00000000 1.33433607 14 -0.04231684 -0.02487248 0.00000000 0.00000000 0.00990620 15 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 16 0.00000000 0.00000000 -0.02254218 0.00426314 0.00000000 17 -0.04231684 -0.02487248 0.00000000 0.00000000 0.00990620 18 0.00000000 0.00000000 0.00426314 0.02254218 0.00000000 19 -0.04987340 -0.05567362 0.00000000 0.00000000 -0.01752354 20 -0.72252062 -0.82307796 0.00000000 0.00000000 0.10191340 21 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 22 0.00000000 0.00000000 0.11232107 -0.02124198 0.00000000 23 -0.72252062 -0.82307796 0.00000000 0.00000000 0.10191340 24 0.00000000 0.00000000 -0.02124198 -0.11232107 0.00000000 25 -0.65130586 -0.71203615 0.00000000 0.00000000 0.27986408 26 0.00000000 0.00000000 -2.08580695 0.39446453 0.00000000 27 0.00000000 0.00000000 0.17640990 0.93280123 0.00000000 28 0.16593986 -0.05568563 0.00000000 0.00000000 1.01294731 29 0.00000000 0.00000000 -0.93280123 0.17640990 0.00000000 30 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 31 0.00000000 0.00000000 -0.95140378 0.17992799 0.00000000 32 0.00000000 0.00000000 0.39446453 2.08580695 0.00000000 33 0.16593986 -0.05568563 0.00000000 0.00000000 1.01294731 34 0.00000000 0.00000000 0.17992799 0.95140378 0.00000000 35 0.38380884 -0.16543733 0.00000000 0.00000000 2.22827943 36 -1.95553705 1.90856132 0.00000000 0.00000000 0.41483773 37 -0.94139584 1.32897588 0.00000000 0.00000000 0.27627912 38 4.38261369 -7.93215737 0.00000000 0.00000000 -1.23200861 39 -0.28377076 1.02428294 0.00000000 0.00000000 0.16954798 40 0.00000000 0.00000000 -1.41396442 0.26740673 0.00000000 41 0.00000000 0.00000000 0.26740673 1.41396442 0.00000000 42 -0.26037334 -0.08001492 0.00000000 0.00000000 -1.53145853 43 0.00000000 0.00000000 5.34363125 -1.01057915 0.00000000 44 0.00000000 0.00000000 -1.01057915 -5.34363125 0.00000000 45 0.96443773 0.27729006 0.00000000 0.00000000 5.76818655 46 0.00000000 0.00000000 -0.97258651 0.18393403 0.00000000 47 0.00000000 0.00000000 0.18393403 0.97258651 0.00000000 48 -0.33204742 1.61983567 0.00000000 0.00000000 -1.33433774 49 -0.04231689 0.02487235 0.00000000 0.00000000 0.00990621 50 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 51 0.00000000 0.00000000 0.02254217 -0.00426314 0.00000000 52 -0.04231689 0.02487235 0.00000000 0.00000000 0.00990621 53 0.00000000 0.00000000 -0.00426314 -0.02254217 0.00000000 54 -0.04987357 0.05567347 0.00000000 0.00000000 -0.01752355 55 -0.72252307 0.82307582 0.00000000 0.00000000 0.10191316 56 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 57 0.00000000 0.00000000 -0.11232099 0.02124197 0.00000000 58 -0.72252307 0.82307582 0.00000000 0.00000000 0.10191316 59 0.00000000 0.00000000 0.02124197 0.11232099 0.00000000 60 -0.65130684 0.71203426 0.00000000 0.00000000 0.27986442 61 0.00000000 0.00000000 -2.08580888 0.39446490 0.00000000 62 0.00000000 0.00000000 0.17641007 0.93280209 0.00000000 63 -0.16594019 -0.05568629 0.00000000 0.00000000 -1.01294747 64 0.00000000 0.00000000 -0.93280209 0.17641007 0.00000000 65 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 66 0.00000000 0.00000000 -0.95140465 0.17992815 0.00000000 67 0.00000000 0.00000000 0.39446490 2.08580888 0.00000000 68 -0.16594019 -0.05568629 0.00000000 0.00000000 -1.01294747 69 0.00000000 0.00000000 0.17992815 0.95140465 0.00000000 70 -0.38380974 -0.16543882 0.00000000 0.00000000 -2.22827988 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 0.00000000 0.00000000 -1.67805427 0.12014043 -0.59098148 6 0.00000000 0.00000000 0.12014043 1.67805427 -0.01486707 7 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 8 0.00000000 0.00000000 6.40904748 -0.45885627 2.21800222 9 0.00000000 0.00000000 -0.45885627 -6.40904748 0.05579736 10 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 11 0.00000000 0.00000000 -1.58503726 0.11348087 -0.29475767 12 0.00000000 0.00000000 0.11348087 1.58503726 -0.00741510 13 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 14 -0.08478379 0.00027629 0.00000000 0.00000000 0.00000000 15 -0.00031903 -0.09789988 0.00000000 0.00000000 0.00000000 16 0.00000000 0.00000000 0.02419663 -0.00173236 0.09292789 17 0.08478379 -0.00027629 0.00000000 0.00000000 0.00000000 18 0.00000000 0.00000000 -0.00173236 -0.02419663 0.00233775 19 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 20 0.59199287 -0.00192914 0.00000000 0.00000000 0.00000000 21 0.00222758 0.68357449 0.00000000 0.00000000 0.00000000 22 0.00000000 0.00000000 -0.19589593 0.01402518 -0.66650094 23 -0.59199287 0.00192914 0.00000000 0.00000000 0.00000000 24 0.00000000 0.00000000 0.01402518 0.19589593 -0.01676689 25 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 26 0.00000000 0.00000000 -2.45938637 0.17607997 -0.88685694 27 0.00000000 0.00000000 0.07874535 1.09987102 -0.00997747 28 -0.00605386 0.00001973 0.00000000 0.00000000 0.00000000 29 0.00000000 0.00000000 -1.09987102 0.07874535 -0.39661448 30 -0.00002278 -0.00699039 0.00000000 0.00000000 0.00000000 31 0.00000000 0.00000000 -1.11575837 0.07988281 -0.33909598 32 0.00000000 0.00000000 0.17607997 2.45938637 -0.02231029 33 0.00605386 -0.00001973 0.00000000 0.00000000 0.00000000 34 0.00000000 0.00000000 0.07988281 1.11575837 -0.00853050 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 1.67805347 -0.12014037 -0.59097985 41 0.00000000 0.00000000 -0.12014037 -1.67805347 -0.01486703 42 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 43 0.00000000 0.00000000 -6.40904463 0.45885606 2.21799602 44 0.00000000 0.00000000 0.45885606 6.40904463 0.05579720 45 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 46 0.00000000 0.00000000 1.58503678 -0.11348084 -0.29475639 47 0.00000000 0.00000000 -0.11348084 -1.58503678 -0.00741506 48 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 49 -0.08478382 0.00027629 0.00000000 0.00000000 0.00000000 50 -0.00031903 -0.09789992 0.00000000 0.00000000 0.00000000 51 0.00000000 0.00000000 0.02419673 -0.00173237 -0.09292788 52 0.08478382 -0.00027629 0.00000000 0.00000000 0.00000000 53 0.00000000 0.00000000 -0.00173237 -0.02419673 -0.00233775 54 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 55 0.59199319 -0.00192914 0.00000000 0.00000000 0.00000000 56 0.00222758 0.68357486 0.00000000 0.00000000 0.00000000 57 0.00000000 0.00000000 -0.19589663 0.01402523 0.66650098 58 -0.59199319 0.00192914 0.00000000 0.00000000 0.00000000 59 0.00000000 0.00000000 0.01402523 0.19589663 0.01676689 60 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 61 0.00000000 0.00000000 2.45938522 -0.17607988 -0.88685455 62 0.00000000 0.00000000 -0.07874532 -1.09987051 -0.00997744 63 0.00605386 -0.00001973 0.00000000 0.00000000 0.00000000 64 0.00000000 0.00000000 1.09987051 -0.07874532 -0.39661341 65 0.00002278 0.00699040 0.00000000 0.00000000 0.00000000 66 0.00000000 0.00000000 1.11575779 -0.07988277 -0.33909490 67 0.00000000 0.00000000 -0.17607988 -2.45938522 -0.02231023 68 -0.00605386 0.00001973 0.00000000 0.00000000 0.00000000 69 0.00000000 0.00000000 -0.07988277 -1.11575779 -0.00853047 70 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 21 22 23 24 25 1 0.00000000 0.00000000 0.00000000 0.15317416 0.87271327 2 0.00000000 0.00000000 0.00000000 -0.41721330 0.58810801 3 0.00000000 0.00000000 0.00000000 -3.45180727 -2.95749346 4 0.00000000 0.00000000 0.00000000 -1.01753658 0.10691473 5 -0.01486707 0.00000000 0.00000000 0.00000000 0.00000000 6 0.59098148 0.00000000 0.00000000 0.00000000 0.00000000 7 0.00000000 0.00000000 0.00000000 -0.80198426 -0.38059077 8 0.05579736 0.00000000 0.00000000 0.00000000 0.00000000 9 -2.21800222 0.00000000 0.00000000 0.00000000 0.00000000 10 0.00000000 0.00000000 0.00000000 2.80789030 1.48392917 11 -0.00741510 0.00000000 0.00000000 0.00000000 0.00000000 12 0.29475767 0.00000000 0.00000000 0.00000000 0.00000000 13 0.00000000 0.00000000 0.00000000 -3.94323643 -0.72817424 14 0.00000000 -0.09653132 0.00006948 -0.03742840 -0.00276715 15 0.00000000 0.00008023 0.11146477 0.00000000 0.00000000 16 0.00233775 0.00000000 0.00000000 0.00000000 0.00000000 17 0.00000000 0.09653132 -0.00006948 -0.03742840 -0.00276715 18 -0.09292789 0.00000000 0.00000000 0.00000000 0.00000000 19 0.00000000 0.00000000 0.00000000 0.01492185 0.17740277 20 0.00000000 0.76015986 -0.00054714 0.07499539 1.35407069 21 0.00000000 -0.00063179 -0.87775700 0.00000000 0.00000000 22 -0.01676689 0.00000000 0.00000000 0.00000000 0.00000000 23 0.00000000 -0.76015986 0.00054714 0.07499539 1.35407069 24 0.66650094 0.00000000 0.00000000 0.00000000 0.00000000 25 0.00000000 0.00000000 0.00000000 -2.07977943 -0.09912909 26 -0.02231029 0.00000000 0.00000000 0.00000000 0.00000000 27 0.39661448 0.00000000 0.00000000 0.00000000 0.00000000 28 0.00000000 -0.00817793 0.00000589 -0.51185009 -0.25447904 29 -0.00997747 0.00000000 0.00000000 0.00000000 0.00000000 30 0.00000000 0.00000680 0.00944306 0.00000000 0.00000000 31 -0.00853050 0.00000000 0.00000000 0.00000000 0.00000000 32 0.88685694 0.00000000 0.00000000 0.00000000 0.00000000 33 0.00000000 0.00817793 -0.00000589 -0.51185009 -0.25447904 34 0.33909598 0.00000000 0.00000000 0.00000000 0.00000000 35 0.00000000 0.00000000 0.00000000 -1.56914904 -0.52199079 36 0.00000000 0.00000000 0.00000000 -0.15317397 0.87271407 37 0.00000000 0.00000000 0.00000000 0.41721317 0.58810813 38 0.00000000 0.00000000 0.00000000 3.45180672 -2.95750050 39 0.00000000 0.00000000 0.00000000 1.01753659 0.10691535 40 -0.01486703 0.00000000 0.00000000 0.00000000 0.00000000 41 0.59097985 0.00000000 0.00000000 0.00000000 0.00000000 42 0.00000000 0.00000000 0.00000000 -0.80198366 0.38059045 43 0.05579720 0.00000000 0.00000000 0.00000000 0.00000000 44 -2.21799602 0.00000000 0.00000000 0.00000000 0.00000000 45 0.00000000 0.00000000 0.00000000 2.80788820 -1.48392784 46 -0.00741506 0.00000000 0.00000000 0.00000000 0.00000000 47 0.29475639 0.00000000 0.00000000 0.00000000 0.00000000 48 0.00000000 0.00000000 0.00000000 -3.94323612 0.72817626 49 0.00000000 0.09653128 -0.00006948 0.03742842 -0.00276711 50 0.00000000 -0.00008023 -0.11146472 0.00000000 0.00000000 51 -0.00233775 0.00000000 0.00000000 0.00000000 0.00000000 52 0.00000000 -0.09653128 0.00006948 0.03742842 -0.00276711 53 0.09292788 0.00000000 0.00000000 0.00000000 0.00000000 54 0.00000000 0.00000000 0.00000000 -0.01492183 0.17740289 55 0.00000000 -0.76015961 0.00054714 -0.07499520 1.35407212 56 0.00000000 0.00063179 0.87775671 0.00000000 0.00000000 57 0.01676689 0.00000000 0.00000000 0.00000000 0.00000000 58 0.00000000 0.76015961 -0.00054714 -0.07499520 1.35407212 59 -0.66650098 0.00000000 0.00000000 0.00000000 0.00000000 60 0.00000000 0.00000000 0.00000000 2.07977972 -0.09912892 61 -0.02231023 0.00000000 0.00000000 0.00000000 0.00000000 62 0.39661341 0.00000000 0.00000000 0.00000000 0.00000000 63 0.00000000 -0.00817793 0.00000589 -0.51184970 0.25447884 64 -0.00997744 0.00000000 0.00000000 0.00000000 0.00000000 65 0.00000000 0.00000680 0.00944306 0.00000000 0.00000000 66 -0.00853047 0.00000000 0.00000000 0.00000000 0.00000000 67 0.88685455 0.00000000 0.00000000 0.00000000 0.00000000 68 0.00000000 0.00817793 -0.00000589 -0.51184970 0.25447884 69 0.33909490 0.00000000 0.00000000 0.00000000 0.00000000 70 0.00000000 0.00000000 0.00000000 -1.56914818 0.52199034 26 27 28 29 30 1 0.00000000 0.00000000 -0.93985676 0.92614337 -0.51089122 2 0.00000000 0.00000000 -0.01718615 -0.65022319 0.71731593 3 0.00000000 0.00000000 7.42661432 -2.90582494 -0.15028156 4 0.00000000 0.00000000 -0.64343831 0.19747303 0.24492753 5 -0.60599411 -0.03307326 0.00000000 0.00000000 0.00000000 6 -0.03307326 0.60599411 0.00000000 0.00000000 0.00000000 7 0.00000000 0.00000000 -0.35557502 0.31961270 3.20146166 8 2.30279269 0.12567921 0.00000000 0.00000000 0.00000000 9 0.12567921 -2.30279269 0.00000000 0.00000000 0.00000000 10 0.00000000 0.00000000 1.37270156 -1.24008455 -9.78580160 11 0.46828203 0.02555737 0.00000000 0.00000000 0.00000000 12 0.02555737 -0.46828203 0.00000000 0.00000000 0.00000000 13 0.00000000 0.00000000 2.04020769 0.46672469 0.95314216 14 0.00000000 0.00000000 -0.03774618 0.10854553 -0.05121941 15 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 16 -0.14333859 -0.00782297 0.00000000 0.00000000 0.00000000 17 0.00000000 0.00000000 -0.03774618 0.10854553 -0.05121941 18 -0.00782297 0.14333859 0.00000000 0.00000000 0.00000000 19 0.00000000 0.00000000 -0.13585277 -0.01686395 0.07074159 20 0.00000000 0.00000000 -1.58644431 0.74982319 0.14533786 21 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 22 1.51470380 0.08266779 0.00000000 0.00000000 0.00000000 23 0.00000000 0.00000000 -1.58644431 0.74982319 0.14533786 24 0.08266779 -1.51470380 0.00000000 0.00000000 0.00000000 25 0.00000000 0.00000000 -0.26869603 1.52802212 -0.35953188 26 -0.88298004 -0.04819029 0.00000000 0.00000000 0.00000000 27 -0.02155135 0.39488068 0.00000000 0.00000000 0.00000000 28 0.00000000 0.00000000 -0.22270288 0.23267946 2.11031965 29 -0.39488068 -0.02155135 0.00000000 0.00000000 0.00000000 30 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 31 -0.32636457 -0.01781196 0.00000000 0.00000000 0.00000000 32 -0.04819029 0.88298004 0.00000000 0.00000000 0.00000000 33 0.00000000 0.00000000 -0.22270288 0.23267946 2.11031965 34 -0.01781196 0.32636457 0.00000000 0.00000000 0.00000000 35 0.00000000 0.00000000 -0.49766162 0.40365073 4.72034788 36 0.00000000 0.00000000 0.93986439 0.92613491 -0.51089035 37 0.00000000 0.00000000 0.01717994 -0.65022306 0.71731880 38 0.00000000 0.00000000 -7.42663854 -2.90575811 -0.15027838 39 0.00000000 0.00000000 0.64344011 0.19746710 0.24492814 40 0.60599405 0.03307326 0.00000000 0.00000000 0.00000000 41 0.03307326 -0.60599405 0.00000000 0.00000000 0.00000000 42 0.00000000 0.00000000 -0.35557837 -0.31960912 -3.20145999 43 -2.30279253 -0.12567920 0.00000000 0.00000000 0.00000000 44 -0.12567920 2.30279253 0.00000000 0.00000000 0.00000000 45 0.00000000 0.00000000 1.37271450 1.24007069 9.78579194 46 -0.46828204 -0.02555737 0.00000000 0.00000000 0.00000000 47 -0.02555737 0.46828204 0.00000000 0.00000000 0.00000000 48 0.00000000 0.00000000 2.04020276 -0.46674273 -0.95314660 49 0.00000000 0.00000000 0.03774718 0.10854519 -0.05121933 50 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 51 -0.14333857 -0.00782297 0.00000000 0.00000000 0.00000000 52 0.00000000 0.00000000 0.03774718 0.10854519 -0.05121933 53 -0.00782297 0.14333857 0.00000000 0.00000000 0.00000000 54 0.00000000 0.00000000 0.13585247 -0.01686518 0.07074141 55 0.00000000 0.00000000 1.58645003 0.74980881 0.14533809 56 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 57 1.51470369 0.08266778 0.00000000 0.00000000 0.00000000 58 0.00000000 0.00000000 1.58645003 0.74980881 0.14533809 59 0.08266778 -1.51470369 0.00000000 0.00000000 0.00000000 60 0.00000000 0.00000000 0.26871012 1.52801964 -0.35952549 61 0.88297996 0.04819028 0.00000000 0.00000000 0.00000000 62 0.02155135 -0.39488064 0.00000000 0.00000000 0.00000000 63 0.00000000 0.00000000 -0.22270529 -0.23267722 -2.11031870 64 0.39488064 0.02155135 0.00000000 0.00000000 0.00000000 65 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 66 0.32636454 0.01781195 0.00000000 0.00000000 0.00000000 67 0.04819028 -0.88297996 0.00000000 0.00000000 0.00000000 68 0.00000000 0.00000000 -0.22270529 -0.23267722 -2.11031870 69 0.01781195 -0.32636454 0.00000000 0.00000000 0.00000000 70 0.00000000 0.00000000 -0.49766592 -0.40364563 -4.72034635 31 32 33 34 35 1 0.00000000 0.00000000 0.50783422 0.00000000 0.00000000 2 0.00000000 0.00000000 1.96103031 0.00000000 0.00000000 3 0.00000000 0.00000000 1.89836879 0.00000000 0.00000000 4 0.00000000 0.00000000 0.36399089 0.00000000 0.00000000 5 -2.70324887 0.77051635 0.00000000 3.25377352 0.38939937 6 0.77051635 2.70324887 0.00000000 -0.38939937 3.25377352 7 0.00000000 0.00000000 -1.44650968 0.00000000 0.00000000 8 8.36656982 -2.38475225 0.00000000 -10.32186617 -1.23528209 9 -2.38475225 -8.36656982 0.00000000 1.23528209 -10.32186617 10 0.00000000 0.00000000 7.49726204 0.00000000 0.00000000 11 -0.78415034 0.22350908 0.00000000 1.19627207 0.14316534 12 0.22350908 0.78415034 0.00000000 -0.14316534 1.19627207 13 0.00000000 0.00000000 2.68938232 0.00000000 0.00000000 14 0.00000000 0.00000000 0.05171212 0.00000000 0.00000000 15 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 16 -0.02726729 0.00777209 0.00000000 -0.00812210 -0.00097202 17 0.00000000 0.00000000 0.05171212 0.00000000 0.00000000 18 0.00777209 0.02726729 0.00000000 0.00097202 -0.00812210 19 0.00000000 0.00000000 -0.12023183 0.00000000 0.00000000 20 0.00000000 0.00000000 0.19034219 0.00000000 0.00000000 21 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 22 -0.01526488 0.00435100 0.00000000 -0.16474418 -0.01971596 23 0.00000000 0.00000000 0.19034219 0.00000000 0.00000000 24 0.00435100 0.01526488 0.00000000 0.01971596 -0.16474418 25 0.00000000 0.00000000 4.23697983 0.00000000 0.00000000 26 -4.03106514 1.14898840 0.00000000 4.82979993 0.57801228 27 0.51384323 1.80274714 0.00000000 -0.25849495 2.15995219 28 0.00000000 0.00000000 -0.82002667 0.00000000 0.00000000 29 -1.80274714 0.51384323 0.00000000 2.15995219 0.25849495 30 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 31 -1.87296123 0.53385660 0.00000000 2.15136382 0.25746712 32 1.14898840 4.03106514 0.00000000 -0.57801228 4.82979993 33 0.00000000 0.00000000 -0.82002667 0.00000000 0.00000000 34 0.53385660 1.87296123 0.00000000 -0.25746712 2.15136382 35 0.00000000 0.00000000 -1.51286579 0.00000000 0.00000000 36 0.00000000 0.00000000 -0.50783505 0.00000000 0.00000000 37 0.00000000 0.00000000 -1.96102928 0.00000000 0.00000000 38 0.00000000 0.00000000 -1.89836903 0.00000000 0.00000000 39 0.00000000 0.00000000 -0.36399049 0.00000000 0.00000000 40 -2.70325228 0.77051732 0.00000000 -3.25377067 -0.38939903 41 0.77051732 2.70325228 0.00000000 0.38939903 -3.25377067 42 0.00000000 0.00000000 -1.44651454 0.00000000 0.00000000 43 8.36658062 -2.38475533 0.00000000 10.32185731 1.23528103 44 -2.38475533 -8.36658062 0.00000000 -1.23528103 10.32185731 45 0.00000000 0.00000000 7.49727694 0.00000000 0.00000000 46 -0.78415162 0.22350944 0.00000000 -1.19627126 -0.14316524 47 0.22350944 0.78415162 0.00000000 0.14316524 -1.19627126 48 0.00000000 0.00000000 2.68938086 0.00000000 0.00000000 49 0.00000000 0.00000000 -0.05171220 0.00000000 0.00000000 50 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 51 0.02726729 -0.00777209 0.00000000 -0.00812214 -0.00097203 52 0.00000000 0.00000000 -0.05171220 0.00000000 0.00000000 53 -0.00777209 -0.02726729 0.00000000 0.00097203 -0.00812214 54 0.00000000 0.00000000 0.12023195 0.00000000 0.00000000 55 0.00000000 0.00000000 -0.19034196 0.00000000 0.00000000 56 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 57 0.01526470 -0.00435095 0.00000000 -0.16474419 -0.01971596 58 0.00000000 0.00000000 -0.19034196 0.00000000 0.00000000 59 -0.00435095 -0.01526470 0.00000000 0.01971596 -0.16474419 60 0.00000000 0.00000000 -4.23698029 0.00000000 0.00000000 61 -4.03107014 1.14898982 0.00000000 -4.82979562 -0.57801176 62 0.51384387 1.80274937 0.00000000 0.25849472 -2.15995027 63 0.00000000 0.00000000 -0.82002989 0.00000000 0.00000000 64 -1.80274937 0.51384387 0.00000000 -2.15995027 -0.25849472 65 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 66 -1.87296346 0.53385724 0.00000000 -2.15136180 -0.25746688 67 1.14898982 4.03107014 0.00000000 0.57801176 -4.82979562 68 0.00000000 0.00000000 -0.82002989 0.00000000 0.00000000 69 0.53385724 1.87296346 0.00000000 0.25746688 -2.15136180 70 0.00000000 0.00000000 -1.51287302 0.00000000 0.00000000 36 37 38 39 40 1 -1.13137859 0.00000000 0.00000000 0.00000000 0.00000000 2 2.20239193 0.00000000 0.00000000 0.00000000 0.00000000 3 0.10024040 0.00000000 0.00000000 0.00000000 0.00000000 4 -0.11380677 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 -5.63374157 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 20.21907216 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 -1.04501047 0.00000000 0.00000000 0.00000000 0.00000000 14 -0.03263318 -0.02805679 -0.00004849 0.00000000 0.00000000 15 0.00000000 0.00005599 -0.03239719 0.00000000 0.00000000 16 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 17 -0.03263318 0.02805679 0.00004849 0.00000000 0.00000000 18 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 19 -0.11631553 0.00000000 0.00000000 0.00000000 0.00000000 20 0.33928988 0.08761258 0.00015140 0.00000000 0.00000000 21 0.00000000 -0.00017483 0.10116630 0.00000000 0.00000000 22 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 23 0.33928988 -0.08761258 -0.00015140 0.00000000 0.00000000 24 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 25 2.63118347 0.00000000 0.00000000 0.00000000 0.00000000 26 0.00000000 0.00000000 0.00000000 0.11312071 0.53398313 27 0.00000000 0.00000000 0.00000000 0.71641355 -0.15176736 28 -3.42397727 -0.55431243 -0.00095791 0.00000000 0.00000000 29 0.00000000 0.00000000 0.00000000 -0.15176736 -0.71641355 30 0.00000000 0.00110610 -0.64006486 0.00000000 0.00000000 31 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 32 0.00000000 0.00000000 0.00000000 -0.53398313 0.11312071 33 -3.42397727 0.55431243 0.00095791 0.00000000 0.00000000 34 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 35 -8.58207763 0.00000000 0.00000000 0.00000000 0.00000000 36 1.13137886 0.00000000 0.00000000 0.00000000 0.00000000 37 -2.20239209 0.00000000 0.00000000 0.00000000 0.00000000 38 -0.10024058 0.00000000 0.00000000 0.00000000 0.00000000 39 0.11380670 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 -5.63374129 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 20.21907127 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 -1.04501042 0.00000000 0.00000000 0.00000000 0.00000000 49 0.03263319 -0.02805679 -0.00004849 0.00000000 0.00000000 50 0.00000000 0.00005599 -0.03239719 0.00000000 0.00000000 51 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 52 0.03263319 0.02805679 0.00004849 0.00000000 0.00000000 53 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 54 0.11631549 0.00000000 0.00000000 0.00000000 0.00000000 55 -0.33928988 0.08761256 0.00015140 0.00000000 0.00000000 56 0.00000000 -0.00017483 0.10116627 0.00000000 0.00000000 57 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 58 -0.33928988 -0.08761256 -0.00015140 0.00000000 0.00000000 59 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 60 -2.63118335 0.00000000 0.00000000 0.00000000 0.00000000 61 0.00000000 0.00000000 0.00000000 0.11312076 0.53398334 62 0.00000000 0.00000000 0.00000000 0.71641382 -0.15176742 63 -3.42397706 0.55431249 0.00095791 0.00000000 0.00000000 64 0.00000000 0.00000000 0.00000000 -0.15176742 -0.71641382 65 0.00000000 -0.00110610 0.64006493 0.00000000 0.00000000 66 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 67 0.00000000 0.00000000 0.00000000 -0.53398334 0.11312076 68 -3.42397706 -0.55431249 -0.00095791 0.00000000 0.00000000 69 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 70 -8.58207717 0.00000000 0.00000000 0.00000000 0.00000000 41 42 43 44 45 1 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 2 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 3 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 4 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 5 0.03386788 -0.29329279 0.00000000 0.00000000 0.00000000 6 0.29329279 0.03386788 0.00000000 0.00000000 0.00000000 7 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 8 -0.08661467 0.75007524 0.00000000 0.00000000 0.00000000 9 -0.75007524 -0.08661467 0.00000000 0.00000000 0.00000000 10 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 11 0.00059890 -0.00518642 0.00000000 0.00000000 0.00000000 12 0.00518642 0.00059890 0.00000000 0.00000000 0.00000000 13 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 14 0.00000000 0.00000000 0.00000000 0.00000000 0.03310238 15 0.00000000 0.00000000 0.00000000 0.00000000 0.00005701 16 -0.02611962 0.22619354 0.00000000 0.00000000 0.00000000 17 0.00000000 0.00000000 0.00000000 0.00000000 -0.03310238 18 -0.22619354 -0.02611962 0.00000000 0.00000000 0.00000000 19 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 20 0.00000000 0.00000000 0.00000000 0.00000000 0.16519420 21 0.00000000 0.00000000 0.00000000 0.00000000 0.00028450 22 0.01559042 -0.13501160 0.00000000 0.00000000 0.00000000 23 0.00000000 0.00000000 0.00000000 0.00000000 -0.16519420 24 0.13501160 0.01559042 0.00000000 0.00000000 0.00000000 25 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 26 0.09108019 -0.78874618 0.57132481 0.04637963 0.00000000 27 0.35273802 0.04073230 0.06222481 -0.76651267 0.00000000 28 0.00000000 0.00000000 0.00000000 0.00000000 0.72276135 29 0.04073230 -0.35273802 -0.76651267 -0.06222481 0.00000000 30 0.00000000 0.00000000 0.00000000 0.00000000 0.00124474 31 -0.05127277 0.44401759 0.00000000 0.00000000 0.00000000 32 0.78874618 0.09108019 -0.04637963 0.57132481 0.00000000 33 0.00000000 0.00000000 0.00000000 0.00000000 -0.72276135 34 -0.44401759 -0.05127277 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 0.03386788 -0.29329277 0.00000000 0.00000000 0.00000000 41 0.29329277 0.03386788 0.00000000 0.00000000 0.00000000 42 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 43 -0.08661467 0.75007523 0.00000000 0.00000000 0.00000000 44 -0.75007523 -0.08661467 0.00000000 0.00000000 0.00000000 45 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 46 0.00059890 -0.00518641 0.00000000 0.00000000 0.00000000 47 0.00518641 0.00059890 0.00000000 0.00000000 0.00000000 48 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 49 0.00000000 0.00000000 0.00000000 0.00000000 -0.03310239 50 0.00000000 0.00000000 0.00000000 0.00000000 -0.00005701 51 0.02611962 -0.22619356 0.00000000 0.00000000 0.00000000 52 0.00000000 0.00000000 0.00000000 0.00000000 0.03310239 53 0.22619356 0.02611962 0.00000000 0.00000000 0.00000000 54 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 55 0.00000000 0.00000000 0.00000000 0.00000000 -0.16519420 56 0.00000000 0.00000000 0.00000000 0.00000000 -0.00028450 57 -0.01559041 0.13501156 0.00000000 0.00000000 0.00000000 58 0.00000000 0.00000000 0.00000000 0.00000000 0.16519420 59 -0.13501156 -0.01559041 0.00000000 0.00000000 0.00000000 60 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 61 0.09108019 -0.78874618 -0.57132461 -0.04637962 0.00000000 62 0.35273801 0.04073230 -0.06222478 0.76651240 0.00000000 63 0.00000000 0.00000000 0.00000000 0.00000000 0.72276130 64 0.04073230 -0.35273801 0.76651240 0.06222478 0.00000000 65 0.00000000 0.00000000 0.00000000 0.00000000 0.00124474 66 -0.05127278 0.44401765 0.00000000 0.00000000 0.00000000 67 0.78874618 0.09108019 0.04637962 -0.57132461 0.00000000 68 0.00000000 0.00000000 0.00000000 0.00000000 -0.72276130 69 -0.44401765 -0.05127278 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 -1.99142059 0.00000000 0.00000000 0.00000000 2 0.00000000 0.21245119 0.00000000 0.00000000 0.00000000 3 0.00000000 1.19455286 0.00000000 0.00000000 0.00000000 4 0.00000000 0.51211641 0.00000000 0.00000000 0.00000000 5 0.00000000 0.00000000 0.00000000 0.00000000 0.70990365 6 0.00000000 0.00000000 0.00000000 0.00000000 -0.00759184 7 0.00000000 -1.55062074 0.00000000 0.00000000 0.00000000 8 0.00000000 0.00000000 0.00000000 0.00000000 -2.57983452 9 0.00000000 0.00000000 0.00000000 0.00000000 0.02758923 10 0.00000000 4.99461046 0.00000000 0.00000000 0.00000000 11 0.00000000 0.00000000 0.00000000 0.00000000 -0.33947558 12 0.00000000 0.00000000 0.00000000 0.00000000 0.00363041 13 0.00000000 -0.49833082 0.00000000 0.00000000 0.00000000 14 0.00004937 -0.19187204 -0.02010051 0.74329528 0.00000000 15 -0.03822334 0.00000000 0.85828346 0.02321007 0.00000000 16 0.00000000 0.00000000 0.00000000 0.00000000 0.69294705 17 -0.00004937 -0.19187204 0.02010051 -0.74329528 0.00000000 18 0.00000000 0.00000000 0.00000000 0.00000000 -0.00741050 19 0.00000000 0.55791515 0.00000000 0.00000000 0.00000000 20 0.00024638 0.08710186 0.00885455 -0.32743174 0.00000000 21 -0.19074983 0.00000000 -0.37808561 -0.01022436 0.00000000 22 0.00000000 0.00000000 0.00000000 0.00000000 -1.44171137 23 -0.00024638 0.08710186 -0.00885455 0.32743174 0.00000000 24 0.00000000 0.00000000 0.00000000 0.00000000 0.01541793 25 0.00000000 -0.06974279 0.00000000 0.00000000 0.00000000 26 0.00000000 0.00000000 0.00000000 0.00000000 1.46099887 27 0.00000000 0.00000000 0.00000000 0.00000000 -0.00698735 28 0.00107798 -1.42329080 0.00026776 -0.00990161 0.00000000 29 0.00000000 0.00000000 0.00000000 0.00000000 0.65337856 30 -0.83457292 0.00000000 -0.01143339 -0.00030919 0.00000000 31 0.00000000 0.00000000 0.00000000 0.00000000 -0.51144224 32 0.00000000 0.00000000 0.00000000 0.00000000 -0.01562419 33 -0.00107798 -1.42329080 -0.00026776 0.00990161 0.00000000 34 0.00000000 0.00000000 0.00000000 0.00000000 0.00546946 35 0.00000000 -1.96111836 0.00000000 0.00000000 0.00000000 36 0.00000000 -1.99142065 0.00000000 0.00000000 0.00000000 37 0.00000000 0.21245114 0.00000000 0.00000000 0.00000000 38 0.00000000 1.19455286 0.00000000 0.00000000 0.00000000 39 0.00000000 0.51211642 0.00000000 0.00000000 0.00000000 40 0.00000000 0.00000000 0.00000000 0.00000000 -0.70990373 41 0.00000000 0.00000000 0.00000000 0.00000000 0.00759184 42 0.00000000 1.55062055 0.00000000 0.00000000 0.00000000 43 0.00000000 0.00000000 0.00000000 0.00000000 2.57983490 44 0.00000000 0.00000000 0.00000000 0.00000000 -0.02758923 45 0.00000000 -4.99460990 0.00000000 0.00000000 0.00000000 46 0.00000000 0.00000000 0.00000000 0.00000000 0.33947556 47 0.00000000 0.00000000 0.00000000 0.00000000 -0.00363041 48 0.00000000 0.49833084 0.00000000 0.00000000 0.00000000 49 -0.00004937 -0.19187204 -0.02010054 0.74329620 0.00000000 50 0.03822335 0.00000000 0.85828452 0.02321010 0.00000000 51 0.00000000 0.00000000 0.00000000 0.00000000 0.69294808 52 0.00004937 -0.19187204 0.02010054 -0.74329620 0.00000000 53 0.00000000 0.00000000 0.00000000 0.00000000 -0.00741051 54 0.00000000 0.55791521 0.00000000 0.00000000 0.00000000 55 -0.00024638 0.08710185 0.00885457 -0.32743230 0.00000000 56 0.19074983 0.00000000 -0.37808625 -0.01022437 0.00000000 57 0.00000000 0.00000000 0.00000000 0.00000000 -1.44171189 58 0.00024638 0.08710185 -0.00885457 0.32743230 0.00000000 59 0.00000000 0.00000000 0.00000000 0.00000000 0.01541793 60 0.00000000 -0.06974291 0.00000000 0.00000000 0.00000000 61 0.00000000 0.00000000 0.00000000 0.00000000 -1.46099937 62 0.00000000 0.00000000 0.00000000 0.00000000 0.00698735 63 0.00107798 1.42329070 -0.00026777 0.00990171 0.00000000 64 0.00000000 0.00000000 0.00000000 0.00000000 -0.65337878 65 -0.83457286 0.00000000 0.01143352 0.00030919 0.00000000 66 0.00000000 0.00000000 0.00000000 0.00000000 0.51144246 67 0.00000000 0.00000000 0.00000000 0.00000000 0.01562420 68 -0.00107798 1.42329070 0.00026777 -0.00990171 0.00000000 69 0.00000000 0.00000000 0.00000000 0.00000000 -0.00546946 70 0.00000000 1.96111813 0.00000000 0.00000000 0.00000000 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 0.00759184 0.00000000 0.00000000 0.00081369 -0.06491825 6 0.70990365 0.00000000 0.00000000 -0.06491825 -0.00081369 7 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 8 -0.02758923 0.00000000 0.00000000 -0.00418108 0.33357683 9 -2.57983452 0.00000000 0.00000000 0.33357683 0.00418108 10 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 11 -0.00363041 0.00000000 0.00000000 0.00015620 -0.01246221 12 -0.33947558 0.00000000 0.00000000 -0.01246221 -0.00015620 13 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 14 0.00000000 -0.76266195 -0.01243295 0.00000000 0.00000000 15 0.00000000 0.01435634 -0.88064616 0.00000000 0.00000000 16 0.00741050 0.00000000 0.00000000 0.01084742 -0.86543370 17 0.00000000 0.76266195 0.01243295 0.00000000 0.00000000 18 0.69294705 0.00000000 0.00000000 -0.86543370 -0.01084742 19 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 20 0.00000000 0.45106169 0.00735323 0.00000000 0.00000000 21 0.00000000 -0.00849078 0.52084118 0.00000000 0.00000000 22 -0.01541793 0.00000000 0.00000000 -0.00534907 0.42676168 23 0.00000000 -0.45106169 -0.00735323 0.00000000 0.00000000 24 -1.44171137 0.00000000 0.00000000 0.42676168 0.00534907 25 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 26 0.01562419 0.00000000 0.00000000 0.00534986 -0.42682520 27 0.65337856 0.00000000 0.00000000 -0.19088203 -0.00239253 28 0.00000000 0.08315014 0.00135552 0.00000000 0.00000000 29 0.00698735 0.00000000 0.00000000 0.00239253 -0.19088203 30 0.00000000 -0.00156522 0.09601351 0.00000000 0.00000000 31 -0.00546946 0.00000000 0.00000000 -0.00226762 0.18091644 32 1.46099887 0.00000000 0.00000000 -0.42682520 -0.00534986 33 0.00000000 -0.08315014 -0.00135552 0.00000000 0.00000000 34 -0.51144224 0.00000000 0.00000000 0.18091644 0.00226762 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 -0.00759184 0.00000000 0.00000000 0.00081368 -0.06491734 41 -0.70990373 0.00000000 0.00000000 -0.06491734 -0.00081368 42 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 43 0.02758923 0.00000000 0.00000000 -0.00418104 0.33357346 44 2.57983490 0.00000000 0.00000000 0.33357346 0.00418104 45 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 46 0.00363041 0.00000000 0.00000000 0.00015621 -0.01246258 47 0.33947556 0.00000000 0.00000000 -0.01246258 -0.00015621 48 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 49 0.00000000 0.76266105 0.01243294 0.00000000 0.00000000 50 0.00000000 -0.01435632 0.88064513 0.00000000 0.00000000 51 0.00741051 0.00000000 0.00000000 -0.01084741 0.86543295 52 0.00000000 -0.76266105 -0.01243294 0.00000000 0.00000000 53 0.69294808 0.00000000 0.00000000 0.86543295 0.01084741 54 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 55 0.00000000 -0.45106130 -0.00735322 0.00000000 0.00000000 56 0.00000000 0.00849077 -0.52084073 0.00000000 0.00000000 57 -0.01541793 0.00000000 0.00000000 0.00534905 -0.42675994 58 0.00000000 0.45106130 0.00735322 0.00000000 0.00000000 59 -1.44171189 0.00000000 0.00000000 -0.42675994 -0.00534905 60 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 61 -0.01562420 0.00000000 0.00000000 0.00534984 -0.42682328 62 -0.65337878 0.00000000 0.00000000 -0.19088118 -0.00239252 63 0.00000000 0.08315012 0.00135552 0.00000000 0.00000000 64 -0.00698735 0.00000000 0.00000000 0.00239252 -0.19088118 65 0.00000000 -0.00156522 0.09601349 0.00000000 0.00000000 66 0.00546946 0.00000000 0.00000000 -0.00226761 0.18091577 67 -1.46099937 0.00000000 0.00000000 -0.42682328 -0.00534984 68 0.00000000 -0.08315012 -0.00135552 0.00000000 0.00000000 69 0.51144246 0.00000000 0.00000000 0.18091577 0.00226761 70 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 56 57 58 59 60 1 0.40265899 3.40170651 0.00000000 0.00000000 8.34791448 2 -3.27910455 0.03786861 0.00000000 0.00000000 -1.47642027 3 -3.36602151 -2.65713885 0.00000000 0.00000000 -6.85571468 4 -0.31666295 -0.87307308 0.00000000 0.00000000 -1.93109097 5 0.00000000 0.00000000 0.95596479 0.12878176 0.00000000 6 0.00000000 0.00000000 -0.12878176 0.95596479 0.00000000 7 4.11531131 1.42612170 0.00000000 0.00000000 0.17888158 8 0.00000000 0.00000000 -4.37387763 -0.58922217 0.00000000 9 0.00000000 0.00000000 0.58922217 -4.37387763 0.00000000 10 -15.11599545 -5.10172509 0.00000000 0.00000000 -1.67899940 11 0.00000000 0.00000000 0.30503115 0.04109194 0.00000000 12 0.00000000 0.00000000 -0.04109194 0.30503115 0.00000000 13 -2.63011961 -0.02912131 0.00000000 0.00000000 -0.30850107 14 -0.20531029 -0.44115056 0.00000000 0.00000000 -0.56098649 15 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 16 0.00000000 0.00000000 -0.55449725 -0.07469849 0.00000000 17 -0.20531029 -0.44115056 0.00000000 0.00000000 -0.56098649 18 0.00000000 0.00000000 0.07469849 -0.55449725 0.00000000 19 0.59628837 0.74362579 0.00000000 0.00000000 0.09116102 20 0.13061142 0.69093737 0.00000000 0.00000000 0.81359929 21 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 22 0.00000000 0.00000000 -0.39052941 -0.05260975 0.00000000 23 0.13061142 0.69093737 0.00000000 0.00000000 0.81359929 24 0.00000000 0.00000000 0.05260975 -0.39052941 0.00000000 25 -5.37789158 -0.83244632 0.00000000 0.00000000 0.71959968 26 0.00000000 0.00000000 2.48702266 0.33503655 0.00000000 27 0.00000000 0.00000000 -0.14983290 1.11223034 0.00000000 28 2.51124739 1.66032875 0.00000000 0.00000000 0.53648835 29 0.00000000 0.00000000 1.11223034 0.14983290 0.00000000 30 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 31 0.00000000 0.00000000 0.01546733 0.00208366 0.00000000 32 0.00000000 0.00000000 -0.33503655 2.48702266 0.00000000 33 2.51124739 1.66032875 0.00000000 0.00000000 0.53648835 34 0.00000000 0.00000000 -0.00208366 0.01546733 0.00000000 35 3.56398338 2.12480938 0.00000000 0.00000000 1.31756477 36 -0.40265969 3.40170896 0.00000000 0.00000000 -8.34792104 37 3.27910452 0.03786858 0.00000000 0.00000000 1.47642231 38 3.36602203 -2.65714043 0.00000000 0.00000000 6.85571878 39 0.31666314 -0.87307358 0.00000000 0.00000000 1.93109276 40 0.00000000 0.00000000 -0.95596493 -0.12878178 0.00000000 41 0.00000000 0.00000000 0.12878178 -0.95596493 0.00000000 42 4.11531155 -1.42612134 0.00000000 0.00000000 0.17888031 43 0.00000000 0.00000000 4.37387853 0.58922229 0.00000000 44 0.00000000 0.00000000 -0.58922229 4.37387853 0.00000000 45 -15.11599601 5.10172417 0.00000000 0.00000000 -1.67899439 46 0.00000000 0.00000000 -0.30503121 -0.04109195 0.00000000 47 0.00000000 0.00000000 0.04109195 -0.30503121 0.00000000 48 -2.63011967 0.02912094 0.00000000 0.00000000 -0.30850123 49 0.20531038 -0.44115069 0.00000000 0.00000000 0.56098668 50 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 51 0.00000000 0.00000000 -0.55449715 -0.07469848 0.00000000 52 0.20531038 -0.44115069 0.00000000 0.00000000 0.56098668 53 0.00000000 0.00000000 0.07469848 -0.55449715 0.00000000 54 -0.59628850 0.74362574 0.00000000 0.00000000 -0.09116040 55 -0.13061156 0.69093760 0.00000000 0.00000000 -0.81359953 56 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 57 0.00000000 0.00000000 -0.39052946 -0.05260975 0.00000000 58 -0.13061156 0.69093760 0.00000000 0.00000000 -0.81359953 59 0.00000000 0.00000000 0.05260975 -0.39052946 0.00000000 60 5.37789178 -0.83244534 0.00000000 0.00000000 -0.71960075 61 0.00000000 0.00000000 -2.48702318 -0.33503662 0.00000000 62 0.00000000 0.00000000 0.14983293 -1.11223058 0.00000000 63 2.51124762 -1.66032871 0.00000000 0.00000000 0.53648682 64 0.00000000 0.00000000 -1.11223058 -0.14983293 0.00000000 65 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 66 0.00000000 0.00000000 -0.01546754 -0.00208369 0.00000000 67 0.00000000 0.00000000 0.33503662 -2.48702318 0.00000000 68 2.51124762 -1.66032871 0.00000000 0.00000000 0.53648682 69 0.00000000 0.00000000 0.00208369 -0.01546754 0.00000000 70 3.56398351 -2.12480964 0.00000000 0.00000000 1.31756254 61 62 63 64 65 1 0.00000000 0.00000000 -8.51533773 -1.90560157 0.00000000 2 0.00000000 0.00000000 2.21352545 -3.04430503 0.00000000 3 0.00000000 0.00000000 5.42088658 0.77703390 0.00000000 4 0.00000000 0.00000000 2.32774491 0.58205093 0.00000000 5 0.87863476 -0.17397564 0.00000000 0.00000000 0.88135988 6 -0.17397564 -0.87863476 0.00000000 0.00000000 0.04408329 7 0.00000000 0.00000000 1.02479962 5.58816388 0.00000000 8 -6.00364468 1.18876235 0.00000000 0.00000000 -5.95998092 9 1.18876235 6.00364468 0.00000000 0.00000000 -0.29810245 10 0.00000000 0.00000000 -4.72746025 -23.76091989 0.00000000 11 0.40687865 -0.08056473 0.00000000 0.00000000 0.57431002 12 -0.08056473 -0.40687865 0.00000000 0.00000000 0.02872547 13 0.00000000 0.00000000 0.28192785 -0.33378031 0.00000000 14 0.00000000 0.00000000 0.39243541 0.24935774 0.00000000 15 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 16 -0.06987470 0.01383566 0.00000000 0.00000000 0.19936069 17 0.00000000 0.00000000 0.39243541 0.24935774 0.00000000 18 0.01383566 0.06987470 0.00000000 0.00000000 0.00997149 19 0.00000000 0.00000000 0.38430510 0.18290978 0.00000000 20 0.00000000 0.00000000 -0.49433555 -0.39848753 0.00000000 21 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 22 0.04541468 -0.00899241 0.00000000 0.00000000 0.16650275 23 0.00000000 0.00000000 -0.49433555 -0.39848753 0.00000000 24 -0.00899241 -0.04541468 0.00000000 0.00000000 0.00832803 25 0.00000000 0.00000000 -0.81542050 -4.83722518 0.00000000 26 3.42368843 -0.67791352 0.00000000 0.00000000 3.21434385 27 -0.30317214 -1.53112001 0.00000000 0.00000000 0.07189985 28 0.00000000 0.00000000 1.33660635 4.63612783 0.00000000 29 1.53112001 -0.30317214 0.00000000 0.00000000 1.43749827 30 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 31 1.48356070 -0.29375508 0.00000000 0.00000000 1.91180368 32 -0.67791352 -3.42368843 0.00000000 0.00000000 0.16077296 33 0.00000000 0.00000000 1.33660635 4.63612783 0.00000000 34 -0.29375508 -1.48356070 0.00000000 0.00000000 0.09562335 35 0.00000000 0.00000000 2.29783368 8.39102084 0.00000000 36 0.00000000 0.00000000 -8.51533343 1.90559033 0.00000000 37 0.00000000 0.00000000 2.21352016 3.04430800 0.00000000 38 0.00000000 0.00000000 5.42088204 -0.77702677 0.00000000 39 0.00000000 0.00000000 2.32774411 -0.58204785 0.00000000 40 0.87863542 -0.17397577 0.00000000 0.00000000 -0.88135920 41 -0.17397577 -0.87863542 0.00000000 0.00000000 -0.04408325 42 0.00000000 0.00000000 -1.02480731 5.58816250 0.00000000 43 -6.00364912 1.18876323 0.00000000 0.00000000 5.95997608 44 1.18876323 6.00364912 0.00000000 0.00000000 0.29810221 45 0.00000000 0.00000000 4.72749354 -23.76091371 0.00000000 46 0.40687910 -0.08056482 0.00000000 0.00000000 -0.57430969 47 -0.08056482 -0.40687910 0.00000000 0.00000000 -0.02872545 48 0.00000000 0.00000000 -0.28192718 -0.33378064 0.00000000 49 0.00000000 0.00000000 0.39243528 -0.24935724 0.00000000 50 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 51 0.06987446 -0.01383562 0.00000000 0.00000000 0.19936072 52 0.00000000 0.00000000 0.39243528 -0.24935724 0.00000000 53 -0.01383562 -0.06987446 0.00000000 0.00000000 0.00997149 54 0.00000000 0.00000000 0.38430550 -0.18290922 0.00000000 55 0.00000000 0.00000000 -0.49433542 0.39848691 0.00000000 56 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 57 -0.04541486 0.00899245 0.00000000 0.00000000 0.16650272 58 0.00000000 0.00000000 -0.49433542 0.39848691 0.00000000 59 0.00899245 0.04541486 0.00000000 0.00000000 0.00832803 60 0.00000000 0.00000000 -0.81542637 4.83722405 0.00000000 61 3.42369080 -0.67791399 0.00000000 0.00000000 -3.21434108 62 -0.30317235 -1.53112107 0.00000000 0.00000000 -0.07189979 63 0.00000000 0.00000000 -1.33661300 4.63612605 0.00000000 64 1.53112107 -0.30317235 0.00000000 0.00000000 -1.43749703 65 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 66 1.48356228 -0.29375539 0.00000000 0.00000000 -1.91180248 67 -0.67791399 -3.42369080 0.00000000 0.00000000 -0.16077282 68 0.00000000 0.00000000 -1.33661300 4.63612605 0.00000000 69 -0.29375539 -1.48356228 0.00000000 0.00000000 -0.09562329 70 0.00000000 0.00000000 -2.29784611 8.39101789 0.00000000 66 67 68 69 70 1 0.00000000 4.50313604 0.03303831 -54.60129400 -59.80976144 2 0.00000000 -1.42534017 1.04473778 26.73898388 28.50181946 3 0.00000000 -2.89527056 0.85512525 31.86599795 37.34408675 4 0.00000000 -1.19358723 0.32770163 15.49024107 16.62574747 5 0.04408329 0.00000000 0.00000000 0.00000000 0.00000000 6 -0.88135988 0.00000000 0.00000000 0.00000000 0.00000000 7 0.00000000 -0.06054693 -1.94391540 0.02371724 0.89974858 8 -0.29810245 0.00000000 0.00000000 0.00000000 0.00000000 9 5.95998092 0.00000000 0.00000000 0.00000000 0.00000000 10 0.00000000 -2.88003597 7.47281609 -0.14730238 -3.16259988 11 0.02872547 0.00000000 0.00000000 0.00000000 0.00000000 12 -0.57431002 0.00000000 0.00000000 0.00000000 0.00000000 13 0.00000000 0.47457649 1.57041468 -0.05031537 1.46384726 14 0.00000000 -0.02996475 0.22737192 -3.52522733 -3.80518543 15 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 16 0.00997149 0.00000000 0.00000000 0.00000000 0.00000000 17 0.00000000 -0.02996475 0.22737192 -3.52522733 -3.80518543 18 -0.19936069 0.00000000 0.00000000 0.00000000 0.00000000 19 0.00000000 -0.63815233 1.43033591 -3.61109768 -3.31973725 20 0.00000000 0.09055325 0.35324519 -3.25308076 -3.74750021 21 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 22 0.00832803 0.00000000 0.00000000 0.00000000 0.00000000 23 0.00000000 0.09055325 0.35324519 -3.25308076 -3.74750021 24 -0.16650275 0.00000000 0.00000000 0.00000000 0.00000000 25 0.00000000 0.90320791 3.81039020 -3.35098554 -3.06575771 26 0.16077296 0.00000000 0.00000000 0.00000000 0.00000000 27 -1.43749827 0.00000000 0.00000000 0.00000000 0.00000000 28 0.00000000 0.48182406 -1.19164024 0.11038993 0.59147325 29 0.07189985 0.00000000 0.00000000 0.00000000 0.00000000 30 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 31 0.09562335 0.00000000 0.00000000 0.00000000 0.00000000 32 -3.21434385 0.00000000 0.00000000 0.00000000 0.00000000 33 0.00000000 0.48182406 -1.19164024 0.11038993 0.59147325 34 -1.91180368 0.00000000 0.00000000 0.00000000 0.00000000 35 0.00000000 2.11807993 -0.14727005 0.05506252 2.23240619 36 0.00000000 4.50313507 -0.03303869 -54.60129506 59.80976044 37 0.00000000 -1.42534007 -1.04473769 26.73898439 -28.50181898 38 0.00000000 -2.89526996 -0.85512503 31.86599862 -37.34408617 39 0.00000000 -1.19358702 -0.32770153 15.49024136 -16.62574719 40 -0.04408325 0.00000000 0.00000000 0.00000000 0.00000000 41 0.88135920 0.00000000 0.00000000 0.00000000 0.00000000 42 0.00000000 0.06054692 -1.94391542 -0.02371725 0.89974858 43 0.29810221 0.00000000 0.00000000 0.00000000 0.00000000 44 -5.95997608 0.00000000 0.00000000 0.00000000 0.00000000 45 0.00000000 2.88003565 7.47281622 0.14730244 -3.16259988 46 -0.02872545 0.00000000 0.00000000 0.00000000 0.00000000 47 0.57430969 0.00000000 0.00000000 0.00000000 0.00000000 48 0.00000000 -0.47457638 1.57041468 0.05031534 1.46384726 49 0.00000000 -0.02996470 -0.22737191 -3.52522740 3.80518537 50 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 51 0.00997149 0.00000000 0.00000000 0.00000000 0.00000000 52 0.00000000 -0.02996470 -0.22737191 -3.52522740 3.80518537 53 -0.19936072 0.00000000 0.00000000 0.00000000 0.00000000 54 0.00000000 -0.63815230 -1.43033588 -3.61109774 3.31973719 55 0.00000000 0.09055318 -0.35324520 -3.25308083 3.74750015 56 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 57 0.00832803 0.00000000 0.00000000 0.00000000 0.00000000 58 0.00000000 0.09055318 -0.35324520 -3.25308083 3.74750015 59 -0.16650272 0.00000000 0.00000000 0.00000000 0.00000000 60 0.00000000 0.90320771 -3.81039022 -3.35098560 3.06575765 61 -0.16077282 0.00000000 0.00000000 0.00000000 0.00000000 62 1.43749703 0.00000000 0.00000000 0.00000000 0.00000000 63 0.00000000 -0.48182395 -1.19164028 -0.11038994 0.59147325 64 -0.07189979 0.00000000 0.00000000 0.00000000 0.00000000 65 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 66 -0.09562329 0.00000000 0.00000000 0.00000000 0.00000000 67 3.21434108 0.00000000 0.00000000 0.00000000 0.00000000 68 0.00000000 -0.48182395 -1.19164028 -0.11038994 0.59147325 69 1.91180248 0.00000000 0.00000000 0.00000000 0.00000000 70 0.00000000 -2.11807962 -0.14727013 -0.05506256 2.23240619 --------------------------------------- UHF spin-up orbital energies --------------------------------------- 1 1 -0.50528522 2 0.09407979 3 0.22948663 4 0.38693830 5 0.44051552 6 0.44051552 7 0.67709347 8 0.70932028 9 0.70932028 10 1.01548358 11 1.12087362 12 1.25758235 13 1.71587057 14 1.71587057 15 1.85241090 16 1.92048249 17 1.92048249 18 2.06990858 19 2.06990858 20 2.20919713 21 2.20919713 22 2.38561847 23 2.38561847 24 2.43791268 25 2.93289831 26 3.07415610 27 3.07415610 28 3.18408567 29 3.21132706 30 4.33469504 31 4.40475284 32 4.40475284 33 4.41817845 34 4.61846568 35 4.61846568 36 5.58100382 37 5.63664323 38 5.63664323 39 5.88790003 40 5.88790003 41 6.16522092 42 6.16522092 43 6.29657372 44 6.29657372 45 7.19186886 46 7.19186886 47 7.27176874 48 8.10350533 49 8.10350533 50 8.27949749 51 8.27949749 52 8.28238288 53 8.28238288 54 8.42223041 55 8.42223041 56 8.66239787 57 8.98967263 58 9.07947101 59 9.07947101 60 9.54404598 61 9.71297786 62 9.71297786 63 9.75518668 64 9.86423713 65 9.94905082 66 9.94905082 67 10.59460310 68 12.40482248 69 22.55429701 70 25.81276220 --------------------------------------- UHF spin-down orbital energies --------------------------------------- 1 1 -0.50528522 2 0.09407979 3 0.22948663 4 0.38693830 5 0.44051552 6 0.44051552 7 0.67709347 8 0.70932028 9 0.70932028 10 1.01548358 11 1.12087362 12 1.25758235 13 1.71587057 14 1.71587057 15 1.85241090 16 1.92048249 17 1.92048249 18 2.06990858 19 2.06990858 20 2.20919713 21 2.20919713 22 2.38561847 23 2.38561847 24 2.43791268 25 2.93289831 26 3.07415610 27 3.07415610 28 3.18408567 29 3.21132706 30 4.33469504 31 4.40475284 32 4.40475284 33 4.41817845 34 4.61846568 35 4.61846568 36 5.58100382 37 5.63664323 38 5.63664323 39 5.88790003 40 5.88790003 41 6.16522092 42 6.16522092 43 6.29657372 44 6.29657372 45 7.19186886 46 7.19186886 47 7.27176874 48 8.10350533 49 8.10350533 50 8.27949749 51 8.27949749 52 8.28238288 53 8.28238288 54 8.42223041 55 8.42223041 56 8.66239787 57 8.98967263 58 9.07947101 59 9.07947101 60 9.54404598 61 9.71297786 62 9.71297786 63 9.75518668 64 9.86423713 65 9.94905082 66 9.94905082 67 10.59460310 68 12.40482248 69 22.55429701 70 25.81276220 Total CPU time for UHF = 11.703 seconds AO to MO transformation... Please be patient Total CPU time for AO to MO transformation = 15.756 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 | 0.599365 | 16.309553 | | 2 | 0.674343 | 18.349803 | | 3 | 0.734772 | 19.994160 | | 4 | 0.795542 | 21.647807 | | 5 | 0.892224 | 24.278638 | | 6 | 0.945801 | 25.736549 | | 7 | 0.945801 | 25.736549 | | 8 | 1.037352 | 28.227776 | | 9 | 1.049261 | 28.551839 | | 10 | 1.049261 | 28.551839 | | 11 | 1.182379 | 32.174163 | | 12 | 1.214605 | 33.051099 | | 13 | 1.214605 | 33.051099 | | 14 | 1.240684 | 33.760725 | | 15 | 1.254401 | 34.133995 | | 16 | 1.254401 | 34.133995 | | 17 | 1.520769 | 41.382227 | | 18 | 1.558266 | 42.402573 | | 19 | 1.626159 | 44.250036 | | 20 | 1.722164 | 46.862477 | ------------------------------------------------------------- *** 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| -13.749511 -13.749511| -0.647323 -0.647323| 0.951712 0.951712| -14.365577 -14.365577| | 2| 2.560041 2.560041| -0.399785 -0.399785| 0.981235 0.981235| 2.167759 2.167759| | 3| 6.244649 6.244649| -0.327415 -0.327415| 0.989894 0.989894| 5.920543 5.920543| | 4| 10.529127 10.529127| -0.814301 -0.814301| 0.966331 0.966331| 9.742244 9.742244| | 5| 11.987038 11.987038| -0.663095 -0.663095| 0.980242 0.980242| 11.337044 11.337044| | 6| 11.987038 11.987038| -0.663095 -0.663095| 0.980242 0.980242| 11.337044 11.337044| | 7| 18.424652 18.424652| -1.454831 -1.454831| 0.785695 0.785695| 17.281598 17.281598| | 8| 19.301588 19.301588| -0.885650 -0.885650| 0.956637 0.956637| 18.454343 18.454343| | 9| 19.301588 19.301588| -0.885650 -0.885650| 0.956637 0.956637| 18.454343 18.454343| | 10| 27.632716 27.632716| -1.003907 -1.003907| 0.905371 0.905371| 26.723807 26.723807| | 11| 30.500525 30.500525| -2.038771 -2.038771| 0.288983 0.288983| 29.911354 29.911354| | 12| 34.220559 34.220559| -5.367187 -5.367187| 0.057855 0.057855| 33.910039 33.910039| | 13| 46.691216 46.691216| -1.327082 -1.327082| 0.446455 0.446455| 46.098734 46.098734| | 14| 46.691216 46.691216| -1.327082 -1.327082| 0.446455 0.446455| 46.098734 46.098734| | 15| 50.406668 50.406668| -1.705245 -1.705245| 0.719815 0.719815| 49.179207 49.179207| | 16| 52.258990 52.258990| -1.495815 -1.495815| 0.619723 0.619723| 51.331999 51.331999| | 17| 52.258990 52.258990| -1.495815 -1.495815| 0.619723 0.619723| 51.331999 51.331999| | 18| 56.325081 56.325081| -0.931817 -0.931817| 0.195958 0.195958| 56.142484 56.142484| | 19| 56.325081 56.325081| -0.931817 -0.931817| 0.195958 0.195958| 56.142484 56.142484| | 20| 60.115316 60.115316| -0.902044 -0.902044| 0.788392 0.788392| 59.404151 59.404151| | 21| 60.115316 60.115316| -0.902044 -0.902044| 0.788392 0.788392| 59.404151 59.404151| | 22| 64.915985 64.915985| -1.861453 -1.861453| 0.848851 0.848851| 63.335889 63.335889| | 23| 64.915985 64.915985| -1.861453 -1.861453| 0.848851 0.848851| 63.335889 63.335889| | 24| 66.338983 66.338983| -3.448905 -3.448905| 0.518292 0.518292| 64.551442 64.551442| | 25| 79.808228 79.808228| -0.409171 -0.409171| 0.644370 0.644370| 79.544570 79.544570| | 26| 83.652048 83.652048| -2.710904 -2.710904| 0.526624 0.526624| 82.224421 82.224421| | 27| 83.652048 83.652048| -2.710904 -2.710904| 0.526624 0.526624| 82.224421 82.224421| | 28| 86.643384 86.643384| 1.472759 1.472759| 0.356249 0.356249| 87.168053 87.168053| | 29| 87.384660 87.384660| 0.493836 0.493836| 0.183700 0.183700| 87.475378 87.475378| | 30| 117.953060 117.953060| -0.185304 -0.185304| 0.320501 0.320501| 117.893670 117.893670| | 31| 119.859430 119.859430| -1.154956 -1.154956| 0.713739 0.713739| 119.035093 119.035093| | 32| 119.859430 119.859430| -1.154956 -1.154956| 0.713739 0.713739| 119.035093 119.035093| | 33| 120.224759 120.224759| 0.293450 0.293450| 0.583769 0.583769| 120.396067 120.396067| | 34| 125.674853 125.674853| -1.754452 -1.754452| 0.784102 0.784102| 124.299184 124.299184| | 35| 125.674853 125.674853| -1.754452 -1.754452| 0.784102 0.784102| 124.299184 124.299184| | 36| 151.866849 151.866849| -0.234973 -0.234973| 0.424149 0.424149| 151.767186 151.767186| | 37| 153.380875 153.380875| -1.747430 -1.747430| 0.640986 0.640986| 152.260797 152.260797| | 38| 153.380875 153.380875| -1.747430 -1.747430| 0.640986 0.640986| 152.260797 152.260797| | 39| 160.217921 160.217921| -1.274721 -1.274721| 0.906788 0.906788| 159.062019 159.062019| | 40| 160.217921 160.217921| -1.274721 -1.274721| 0.906788 0.906788| 159.062019 159.062019| | 41| 167.764206 167.764206| -1.150434 -1.150434| 0.594451 0.594451| 167.080330 167.080330| | 42| 167.764206 167.764206| -1.150434 -1.150434| 0.594451 0.594451| 167.080330 167.080330| | 43| 171.338498 171.338498| -2.241181 -2.241181| 0.852343 0.852343| 169.428244 169.428244| | 44| 171.338498 171.338498| -2.241181 -2.241181| 0.852343 0.852343| 169.428244 169.428244| | 45| 195.700720 195.700720| -6.967912 -6.967912| 0.030495 0.030495| 195.488233 195.488233| | 46| 195.700720 195.700720| -6.967912 -6.967912| 0.030495 0.030495| 195.488233 195.488233| | 47| 197.874906 197.874906| 0.036806 0.036806| 0.301249 0.301249| 197.885994 197.885994| | 48| 220.507612 220.507612| -0.706030 -0.706030| 0.111503 0.111503| 220.428888 220.428888| | 49| 220.507612 220.507612| -0.706030 -0.706030| 0.111503 0.111503| 220.428888 220.428888| | 50| 225.296602 225.296602| -0.193006 -0.193006| 0.111563 0.111563| 225.275070 225.275070| | 51| 225.296602 225.296602| -0.193006 -0.193006| 0.111563 0.111563| 225.275070 225.275070| | 52| 225.375118 225.375118| -3.691865 -3.691865| 0.791771 0.791771| 222.452004 222.452004| | 53| 225.375118 225.375118| -3.691865 -3.691865| 0.791771 0.791771| 222.452004 222.452004| | 54| 229.180563 229.180563| -2.697384 -2.697384| 0.433303 0.433303| 228.011777 228.011777| | 55| 229.180563 229.180563| -2.697384 -2.697384| 0.433303 0.433303| 228.011777 228.011777| | 56| 235.715852 235.715852| -1.914211 -1.914211| 0.818459 0.818459| 234.149150 234.149150| | 57| 244.621452 244.621452| -2.512716 -2.512716| 0.302790 0.302790| 243.860626 243.860626| | 58| 247.064991 247.064991| -2.167047 -2.167047| 0.090424 0.090424| 246.869038 246.869038| | 59| 247.064991 247.064991| -2.167047 -2.167047| 0.090424 0.090424| 246.869038 246.869038| | 60| 259.706719 259.706719| -5.808117 -5.808117| 0.424745 0.424745| 257.239753 257.239753| | 61| 264.303590 264.303590| -3.243987 -3.243987| 0.470409 0.470409| 262.777588 262.777588| | 62| 264.303590 264.303590| -3.243987 -3.243987| 0.470409 0.470409| 262.777588 262.777588| | 63| 265.452150 265.452150| -2.950282 -2.950282| 0.487445 0.487445| 264.014049 264.014049| | 64| 268.419564 268.419564| -2.771648 -2.771648| 0.526065 0.526065| 266.961497 266.961497| | 65| 270.727463 270.727463| -3.514712 -3.514712| 0.131256 0.131256| 270.266136 270.266136| | 66| 270.727463 270.727463| -3.514712 -3.514712| 0.131256 0.131256| 270.266136 270.266136| | 67| 288.293835 288.293835| 26.107293 26.107293| 0.015850 0.015850| 288.707639 288.707639| | 68| 337.552413 337.552413| 0.053801 0.053801| 0.525950 0.525950| 337.580710 337.580710| | 69| 613.733682 613.733682| -0.760951 -0.760951| 0.836148 0.836148| 613.097414 613.097414| | 70| 702.401036 702.401036| -0.402489 -0.402489| 0.901736 0.901736| 702.038098 702.038098| -------------------------------------------------------------------------------------------------------------------------------- UG0W0 HOMO energy: -14.365577 eV UG0W0 LUMO energy: 2.167759 eV UG0W0 HOMO-LUMO gap : 16.533335 eV -------------------------------------------------------------------------------------------------------------------------------- RPA@UG0W0 total energy : -1.141725 au RPA@UG0W0 correlation energy: -0.058387 au GM@UG0W0 total energy : -1.190836 au GM@UG0W0 correlation energy: -0.107498 au -------------------------------------------------------------------------------------------------------------------------------- ------------------------------------------------------------- BSE@UGW calculation: spin-conserved manifold ------------------------------------------------------------- | State | Excitation energy (au) | Excitation energy (eV) | ------------------------------------------------------------- | 1 | 0.230691 | 6.277424 | | 2 | 0.406731 | 11.067720 | | 3 | 0.456053 | 12.409825 | | 4 | 0.538530 | 14.654160 | | 5 | 0.551754 | 15.013981 | | 6 | 0.551754 | 15.013981 | | 7 | 0.570928 | 15.535744 | | 8 | 0.672330 | 18.295028 | | 9 | 0.672330 | 18.295028 | | 10 | 0.685198 | 18.645184 | | 11 | 0.805213 | 21.910954 | | 12 | 0.854415 | 23.249817 | | 13 | 0.854415 | 23.249817 | | 14 | 0.869668 | 23.664868 | | 15 | 0.898911 | 24.460607 | | 16 | 0.898911 | 24.460607 | | 17 | 1.174791 | 31.967696 | | 18 | 1.213831 | 33.030022 | | 19 | 1.234893 | 33.603137 | | 20 | 1.331818 | 36.240602 | ------------------------------------------------------------- --------------------------------------------------------------- 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 1.632179 2.664008 0.722357 3 0.000000 -0.000000 -0.000002 0.000000 0.000000 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 -0.049452 1.330809 -0.000000 1.773499 0.794918 9 1.330809 0.049452 0.000000 1.773499 0.794918 10 -0.000000 0.000000 0.714993 0.511216 0.233523 11 -0.000000 0.000000 0.000003 0.000000 0.000000 12 0.000001 -0.000001 -0.000000 0.000000 0.000000 13 0.000001 0.000001 0.000000 0.000000 0.000000 14 0.000000 0.000000 -0.000000 0.000000 0.000000 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 -0.009086 0.000083 0.000067 19 -0.000000 0.000000 -0.000000 0.000000 0.000000 20 0.000000 0.000000 0.000000 0.000000 0.000000 --------------------------------------------------------------- ------------------------------------------------------------- Excitation n. 1: 6.277424 eV f = 0.0000 = 2.0000 ------------------------------------------------------------- 1A -> 2A = -0.655989 1A -> 4A = -0.259853 1B -> 2B = -0.655989 1B -> 4B = 0.259853 ------------------------------------------------------------- Excitation n. 2: 11.067720 eV f = 0.7224 = 0.0000 ------------------------------------------------------------- 1A -> 2A = -0.705319 1B -> 2B = 0.705319 ------------------------------------------------------------- Excitation n. 3: 12.409825 eV f = 0.0000 = 2.0000 ------------------------------------------------------------- 1A -> 3A = -0.701763 1B -> 3B = 0.701763 ------------------------------------------------------------- Excitation n. 4: 14.654160 eV f = 0.0000 = 0.0000 ------------------------------------------------------------- 1A -> 3A = 0.706950 1B -> 3B = 0.706950 ------------------------------------------------------------- Excitation n. 5: 15.013981 eV f = 0.0000 = 2.0000 ------------------------------------------------------------- 1A -> 5A = 0.585442 1A -> 6A = -0.394088 1B -> 5B = -0.658790 1B -> 6B = -0.253068 ------------------------------------------------------------- Excitation n. 6: 15.013981 eV f = 0.0000 = 2.0000 ------------------------------------------------------------- 1A -> 5A = -0.394088 1A -> 6A = -0.585442 1B -> 5B = -0.253068 1B -> 6B = 0.658790 ------------------------------------------------------------- Excitation n. 7: 15.535744 eV f = 0.0000 = 2.0000 ------------------------------------------------------------- 1A -> 2A = -0.263698 1A -> 4A = 0.650640 1B -> 2B = -0.263698 1B -> 4B = -0.650640 ------------------------------------------------------------- Excitation n. 8: 18.295028 eV f = 0.7949 = 0.0000 ------------------------------------------------------------- 1A -> 5A = -0.696395 1A -> 6A = 0.122507 1B -> 5B = -0.500135 1B -> 6B = -0.499838 ------------------------------------------------------------- Excitation n. 9: 18.295028 eV f = 0.7949 = 0.0000 ------------------------------------------------------------- 1A -> 5A = -0.122507 1A -> 6A = -0.696395 1B -> 5B = 0.499838 1B -> 6B = -0.500135 ------------------------------------------------------------- Excitation n. 10: 18.645184 eV f = 0.2335 = 0.0000 ------------------------------------------------------------- 1A -> 4A = -0.705951 1B -> 4B = -0.705951 ------------------------------------------------------------- Excitation n. 11: 21.910954 eV f = 0.0000 = 2.0000 ------------------------------------------------------------- 1A -> 7A = 0.702893 1B -> 7B = 0.702893 ------------------------------------------------------------- Excitation n. 12: 23.249817 eV f = 0.0000 = 2.0000 ------------------------------------------------------------- 1A -> 8A = 0.665298 1A -> 9A = 0.236951 1B -> 8B = 0.658717 1B -> 9B = 0.254676 ------------------------------------------------------------- Excitation n. 13: 23.249817 eV f = 0.0000 = 2.0000 ------------------------------------------------------------- 1A -> 8A = -0.236951 1A -> 9A = 0.665298 1B -> 8B = -0.254676 1B -> 9B = 0.658717 ------------------------------------------------------------- Excitation n. 14: 23.664868 eV f = 0.0000 = 0.0000 ------------------------------------------------------------- 1A -> 7A = -0.705574 1B -> 7B = 0.705574 ------------------------------------------------------------- Excitation n. 15: 24.460607 eV f = 0.0000 = 0.0000 ------------------------------------------------------------- 1A -> 8A = 0.705836 1B -> 8B = -0.706647 ------------------------------------------------------------- Excitation n. 16: 24.460607 eV f = 0.0000 = 0.0000 ------------------------------------------------------------- 1A -> 9A = -0.705836 1B -> 9B = 0.706647 ------------------------------------------------------------- Excitation n. 17: 31.967696 eV f = 0.0000 = 2.0000 ------------------------------------------------------------- 1A -> 10A = -0.701284 1B -> 10B = -0.701284 ------------------------------------------------------------- Excitation n. 18: 33.030022 eV f = 0.0001 = 0.0000 ------------------------------------------------------------- 1A -> 10A = 0.704914 1B -> 10B = -0.704914 ------------------------------------------------------------- Excitation n. 19: 33.603137 eV f = 0.0000 = 2.0000 ------------------------------------------------------------- 1A -> 11A = 0.702457 1B -> 11B = -0.702457 ------------------------------------------------------------- Excitation n. 20: 36.240602 eV f = 0.0000 = 0.0000 ------------------------------------------------------------- 1A -> 11A = -0.705697 1B -> 11B = -0.705697 Thomas-Reiche-Kuhn sum rule = 2.545782 ------------------------------------------------------------------------------- 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 = -1.0833375779 ------------------------------------------------------------------------------- Total CPU time for G0W0 = 0.539 seconds Total CPU time for QuAcK = 29.230 seconds