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77 lines
5.0 KiB
77 lines
5.0 KiB
75 |
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energy: -110.830095516537 gnorm: 0.000712094797 xtb: 6.4.1 (060166e8e329d5f5f0e407f406ce482635821d54) |
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Ni 0.08024427094612 0.88030997583889 -1.27008783828989 |
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P 1.41497771575524 -0.00714867347512 -0.22890953738001 |
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P -1.75230087048645 0.38476234738698 -0.19668297223499 |
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N 1.12155635089810 0.89187633675014 -2.75690744217788 |
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C 2.11835491422073 1.37038386158506 -3.21126537312849 |
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C 3.20663630914065 1.80577132901243 -3.79953027379204 |
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H -0.56921926710232 2.03394294791625 -1.90183491699665 |
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C -3.35640013119622 0.64531614208838 -1.03459197146712 |
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C -2.19167612242653 1.08963352859401 1.42248337325409 |
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C -1.73604449502242 -1.42558363427943 -0.02075677851768 |
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C 2.85047996028356 -0.77427535070777 -1.06988803483311 |
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C 2.23102732464868 1.30430346941366 0.75445684312796 |
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C 1.16406330793213 -1.24550160196729 1.10581770386264 |
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C 2.04316351219274 2.62364545972164 0.35287949503565 |
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C 2.63702909124270 3.66182348883229 1.04877405332241 |
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C 3.42859346061043 3.38893750703839 2.15135772444828 |
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C 3.62530705962588 2.07698351868867 2.55418868716394 |
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C 3.03165096172695 1.03769919423120 1.86224563663885 |
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H 3.18634489391197 0.01653532424719 2.18323642540910 |
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H 1.41864774727145 2.83075244737601 -0.51718486505865 |
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H 2.48189467022388 4.68229152170525 0.73032030983572 |
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H 3.89417555723984 4.19615973742794 2.69785870871670 |
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H 4.24648962834332 1.86275192050331 3.41225400171069 |
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C -4.23740995036257 -0.38050985253466 -1.35113551420133 |
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C -3.70054884330393 1.96209283734594 -1.32592360820539 |
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C -4.91291283309764 2.25097092043514 -1.92029499987943 |
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C -5.79091340973570 1.22487334433715 -2.23398191038373 |
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C -5.45011719190370 -0.08641658409241 -1.95128083984541 |
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H -6.13148236137674 -0.88781769554061 -2.19835300335951 |
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H -6.73808829548318 1.44756131814317 -2.70274209774079 |
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H -3.97984794908461 -1.40804659010646 -1.13543502121794 |
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H -2.99817464931393 2.75160439610536 -1.09141928768061 |
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H -5.17453993591038 3.27450180657596 -2.14484095427247 |
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C 4.17459164421984 -0.43722555348943 -0.82745854672754 |
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C 5.18959173561079 -1.05826246679565 -1.53577053393631 |
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C 4.89428678068484 -2.01436632827174 -2.49146766217159 |
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C 3.57373060117103 -2.34628539689413 -2.74828490295612 |
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C 2.55979809734218 -1.72558371015173 -2.04589305342032 |
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H 1.52551876494858 -1.95953203465318 -2.26471231351834 |
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H 4.42153855922872 0.31882863274711 -0.09624713527834 |
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H 6.21772827156207 -0.78621161764932 -1.34288788131147 |
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H 5.69041671558501 -2.49163095531779 -3.04415945671998 |
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H 3.33697654182036 -3.08128169150514 -3.50412762067127 |
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C 1.47536951888857 -2.59063178695704 0.94909652223569 |
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C 1.21909695627136 -3.49190114380949 1.96703994192876 |
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C 0.64633593374008 -3.06497322808563 3.15230736240645 |
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C 0.32245421332866 -1.72796019700436 3.31360343438282 |
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C 0.57351087324393 -0.82840451515219 2.29613616207207 |
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H 1.92858893750176 -2.93798597905753 0.03167440832248 |
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H 1.47213748084837 -4.53388045729795 1.83316640970535 |
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H 0.32152025251750 0.21477047950136 2.43213950541296 |
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H 0.45277013416650 -3.77045479265004 3.94709466183128 |
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H -0.12759674051841 -1.38366996491308 4.23413644853449 |
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C -1.26193158729539 -2.07841327309514 -1.15824643613990 |
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C -1.16314505039719 -3.45490441813362 -1.18362497345348 |
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C -1.52965474541254 -4.18775328550960 -0.06483847858757 |
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C -1.98941207749603 -3.54145923941746 1.06973473775901 |
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C -2.09490482834913 -2.16083305047144 1.09851284906891 |
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H -2.43890280254091 -1.66296941229801 1.99321009031093 |
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H -0.97680101270261 -1.47740579885295 -2.02173442794100 |
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H -0.79830678516057 -3.95931752404638 -2.06682883394628 |
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H -1.44912245713620 -5.26477456896227 -0.07570751070465 |
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H -2.26441274834188 -4.11515939285543 1.94285788623495 |
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C -1.33899702123299 2.03521838306450 1.98025828619547 |
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C -3.37070310873479 0.75125660964137 2.07872121054722 |
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C -3.66175048524124 1.32060694174914 3.30460326900669 |
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C -2.79271695562988 2.24020879401778 3.87191884869224 |
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C -1.63622502064262 2.60714685999507 3.20425371868321 |
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H -0.44586719979463 2.32505703036032 1.43797870721434 |
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H -4.06144157566544 0.05636029395033 1.62113501509113 |
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H -4.57328065626997 1.05220506311044 3.81889234490696 |
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H -3.02591061671016 2.68054057363805 4.83024342960527 |
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H -0.96770807874297 3.33835618342170 3.63505826083519 |
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H 4.15918368328721 1.35537509224269 -3.58602614507926 |
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H 3.16709542772868 2.58322614727192 -4.53941332023278
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