Dateien nach "Butadien/p_{0,7}" hochladen
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Coordinates from ORCA-job orca E -234.163018558109
|
||||
C -0.702395 1.349530 -0.347469
|
||||
C -1.485642 0.063973 -0.263395
|
||||
C -0.693881 -1.055061 0.427748
|
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C 0.756150 -1.096896 -0.071642
|
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C 1.477007 0.227865 0.219532
|
||||
C 0.624905 1.425331 -0.118775
|
||||
H -1.259545 2.265267 -0.610832
|
||||
H -1.779865 -0.251537 -1.292862
|
||||
H -2.448474 0.241285 0.264102
|
||||
H -0.693208 -0.876291 1.526066
|
||||
H -1.191762 -2.034238 0.268929
|
||||
H 0.758112 -1.278511 -1.169373
|
||||
H 1.307190 -1.942582 0.389752
|
||||
H 1.766894 0.277638 1.296016
|
||||
H 2.436761 0.278098 -0.339780
|
||||
H 1.127753 2.406129 -0.178018
|
||||
16
|
||||
Coordinates from ORCA-job orca E -234.163025302143
|
||||
C -0.703007 1.349835 -0.346977
|
||||
C -1.484987 0.063045 -0.266269
|
||||
C -0.694074 -1.054364 0.428839
|
||||
C 0.755264 -1.097123 -0.070568
|
||||
C 1.476783 0.227754 0.217943
|
||||
C 0.623884 1.426024 -0.115138
|
||||
H -1.259762 2.266190 -0.608904
|
||||
H -1.775047 -0.253748 -1.296373
|
||||
H -2.449656 0.240119 0.258087
|
||||
H -0.693195 -0.872163 1.526543
|
||||
H -1.192534 -2.033857 0.273933
|
||||
H 0.756138 -1.281141 -1.167912
|
||||
H 1.305605 -1.943645 0.390185
|
||||
H 1.774285 0.276877 1.292387
|
||||
H 2.434138 0.278845 -0.345709
|
||||
H 1.126167 2.407353 -0.170068
|
||||
16
|
||||
Coordinates from ORCA-job orca E -234.163027426606
|
||||
C -0.702913 1.349430 -0.348204
|
||||
C -1.484843 0.062662 -0.267328
|
||||
C -0.694178 -1.054631 0.429006
|
||||
C 0.755281 -1.097051 -0.070171
|
||||
C 1.476605 0.227925 0.218220
|
||||
C 0.623506 1.426160 -0.113517
|
||||
H -1.259002 2.265914 -0.611070
|
||||
H -1.775705 -0.255340 -1.296754
|
||||
H -2.448899 0.241128 0.257784
|
||||
H -0.693207 -0.871032 1.526540
|
||||
H -1.192989 -2.034107 0.275635
|
||||
H 0.755101 -1.280469 -1.167729
|
||||
H 1.305539 -1.944540 0.388797
|
||||
H 1.776996 0.276503 1.291951
|
||||
H 2.433301 0.279667 -0.346641
|
||||
H 1.125409 2.407782 -0.166520
|
||||
16
|
||||
Coordinates from ORCA-job orca E -234.163027726581
|
||||
C -0.702780 1.349067 -0.348642
|
||||
C -1.484823 0.062473 -0.267559
|
||||
C -0.694234 -1.054700 0.429140
|
||||
C 0.755359 -1.097025 -0.070272
|
||||
C 1.476625 0.227852 0.218527
|
||||
C 0.623492 1.425968 -0.113232
|
||||
H -1.258693 2.265561 -0.611875
|
||||
H -1.776100 -0.256012 -1.296736
|
||||
H -2.448648 0.241560 0.257783
|
||||
H -0.693134 -0.870301 1.526581
|
||||
H -1.193269 -2.034128 0.276421
|
||||
H 0.754585 -1.279497 -1.168033
|
||||
H 1.305897 -1.944777 0.387800
|
||||
H 1.777243 0.276328 1.292219
|
||||
H 2.433228 0.279934 -0.346476
|
||||
H 1.125252 2.407698 -0.165646
|
||||
Reference in New Issue
Block a user