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20 lines
1.2 KiB
20 lines
1.2 KiB
18 |
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Coordinates from ORCA-job cmmd |
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C 2.41152713335072 -0.70315491965030 -0.00285175640619 |
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C 2.41234899929286 0.70099206550767 -0.00245799823640 |
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C 1.23308025141841 1.39122869364744 -0.00286066883031 |
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C -0.00230860377905 0.71011519433099 -0.00352606339333 |
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C -1.23689996102567 1.39266987428458 -0.00338118661967 |
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C -2.41696837199262 0.70379830277779 -0.00379601125133 |
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C -2.41778724238201 -0.70034709816064 -0.00459698849307 |
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C -1.23851286123808 -1.39058044924232 -0.00480925033694 |
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C -0.00313334505810 -0.70944594331312 -0.00412973845697 |
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C 1.23145236016325 -1.39201734055467 -0.00379216955028 |
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H 3.35272482327401 -1.23365329886495 -0.00238641187896 |
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H 3.35416825449150 1.23038438861012 -0.00185831172794 |
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H 1.22870075528791 2.47234771346020 -0.00272186442839 |
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H -1.23126388682849 2.47378219283471 -0.00291778014193 |
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H -3.35817188229753 1.23428779710778 -0.00349157352384 |
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H -3.35960034895426 -1.22975017185378 -0.00505785398497 |
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H -1.23412458879329 -2.47169798545112 -0.00553432039391 |
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H 1.22580851507043 -2.47312901547039 -0.00431005234558
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