Dateien nach "Butadien/p_{0,13}" hochladen
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C -4.297277 0.745381 0.704330
|
||||
C 1.249083 0.269123 -1.177121
|
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C 2.706591 0.044297 -0.761479
|
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C 2.857323 0.100764 0.764637
|
||||
C 1.773866 -0.676445 1.466000
|
||||
H -0.085591 -1.696562 1.425586
|
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H 0.513980 -1.765001 -1.165617
|
||||
H -1.453168 -0.519011 -1.895433
|
||||
H -1.707509 0.019888 1.146810
|
||||
H -3.701646 0.243593 -1.270523
|
||||
H -5.324797 1.017571 0.419713
|
||||
H -4.030652 0.834761 1.770611
|
||||
H 1.147679 0.298661 -2.281966
|
||||
H 0.902888 1.256505 -0.800015
|
||||
H 3.367914 0.792539 -1.245290
|
||||
H 3.039212 -0.952910 -1.125704
|
||||
H 2.839412 1.159648 1.115769
|
||||
H 3.853447 -0.284772 1.073566
|
||||
H 1.930050 -0.916795 2.531899
|
||||
24
|
||||
Coordinates from ORCA-job orca E -388.652879382448
|
||||
C 0.647379 -1.099217 0.856867
|
||||
C 0.317340 -0.823428 -0.592442
|
||||
C -1.127542 -0.469481 -0.839018
|
||||
C -2.022904 -0.052382 0.090267
|
||||
C -3.395855 0.319892 -0.210653
|
||||
C -4.297496 0.745811 0.704061
|
||||
C 1.249144 0.269017 -1.176946
|
||||
C 2.706314 0.044601 -0.761169
|
||||
C 2.857562 0.100621 0.764947
|
||||
C 1.774394 -0.677528 1.465739
|
||||
H -0.085060 -1.696685 1.426001
|
||||
H 0.513810 -1.764348 -1.165304
|
||||
H -1.453908 -0.519712 -1.894852
|
||||
H -1.707504 0.021282 1.146825
|
||||
H -3.701995 0.242145 -1.270300
|
||||
H -5.325061 1.017500 0.419382
|
||||
H -4.030095 0.836075 1.770053
|
||||
H 1.148871 0.297636 -2.281968
|
||||
H 0.902379 1.257130 -0.802162
|
||||
H 3.367200 0.793726 -1.244323
|
||||
H 3.040069 -0.952043 -1.125828
|
||||
H 2.838334 1.159287 1.116549
|
||||
H 3.853951 -0.284909 1.072922
|
||||
H 1.930670 -0.919082 2.531350
|
||||
Reference in New Issue
Block a user