Dateien nach "Butadien/p_{0,14}" hochladen
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||||
C 1.660821 1.097410 0.130041
|
||||
C 2.461593 0.078669 -0.632134
|
||||
C 3.804302 0.016327 -0.667588
|
||||
H -2.788170 2.883414 0.102744
|
||||
H -1.642769 2.244705 -1.243239
|
||||
H -2.546816 0.766640 1.344361
|
||||
H -0.676132 0.029701 -1.014161
|
||||
H -2.830848 -1.186089 -1.210467
|
||||
H -1.443215 -2.931100 0.962517
|
||||
H -2.861101 -3.395314 -0.171730
|
||||
H 0.466656 -1.508281 0.617076
|
||||
H -0.606031 -0.951333 1.914269
|
||||
H 0.298837 1.349115 1.793124
|
||||
H 1.584785 0.154033 2.083080
|
||||
H 2.338047 1.892810 0.506893
|
||||
H 0.951749 1.601957 -0.564705
|
||||
H 1.886353 -0.679764 -1.195706
|
||||
H 4.427139 0.748915 -0.125850
|
||||
H 4.333541 -0.761944 -1.239681
|
||||
26
|
||||
Coordinates from ORCA-job orca E -389.819616033257
|
||||
C -2.155003 2.068591 -0.281367
|
||||
C -2.012333 0.911034 0.386484
|
||||
C -1.177386 -0.268817 -0.064114
|
||||
C -2.103017 -1.418550 -0.411195
|
||||
C -2.133723 -2.636506 0.157432
|
||||
C -0.101109 -0.624046 0.978718
|
||||
C 0.865128 0.519193 1.319153
|
||||
C 1.660710 1.098040 0.129692
|
||||
C 2.460931 0.079158 -0.632783
|
||||
C 3.803567 0.014834 -0.666671
|
||||
H -2.788804 2.883156 0.102854
|
||||
H -1.643322 2.244539 -1.243186
|
||||
H -2.546794 0.766291 1.344438
|
||||
H -0.676146 0.030024 -1.014058
|
||||
H -2.830249 -1.186226 -1.210349
|
||||
H -1.442404 -2.931075 0.962482
|
||||
H -2.860147 -3.395516 -0.172009
|
||||
H 0.467088 -1.507621 0.616702
|
||||
H -0.605325 -0.951193 1.914297
|
||||
H 0.299118 1.349646 1.793236
|
||||
H 1.585359 0.154360 2.082421
|
||||
H 2.338352 1.893149 0.506431
|
||||
H 0.951483 1.602837 -0.564694
|
||||
H 1.885208 -0.677758 -1.197886
|
||||
H 4.426540 0.746034 -0.123234
|
||||
H 4.332283 -0.763579 -1.239001
|
||||
Reference in New Issue
Block a user