Dateien nach "Butadien/p_{0,8}" hochladen
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|
||||
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|
||||
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|
||||
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|
||||
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|
||||
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|
||||
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|
||||
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|
||||
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|
||||
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|
||||
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|
||||
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|
||||
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|
||||
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|
||||
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|
||||
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|
||||
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|
||||
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|
||||
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|
||||
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|
||||
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|
||||
H -0.391089 2.998304 -1.484825
|
||||
H -0.393273 3.935795 0.144607
|
||||
24
|
||||
Coordinates from ORCA-job orca E -388.639626949447
|
||||
C 2.624749 0.799095 -0.177644
|
||||
C 1.984430 -0.195856 0.460730
|
||||
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|
||||
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|
||||
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|
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|
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|
||||
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|
||||
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||||
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|
||||
H 3.705361 0.956250 -0.034455
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||||
H 2.105486 1.500515 -0.847471
|
||||
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|
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|
||||
H 0.946403 -2.737278 0.252569
|
||||
H 1.048337 -1.925951 -1.311490
|
||||
H -1.124727 -3.441995 -0.965553
|
||||
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|
||||
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|
||||
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|
||||
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|
||||
H -0.342796 1.815520 1.391737
|
||||
H -0.388289 2.997822 -1.485096
|
||||
H -0.391950 3.935910 0.143840
|
||||
24
|
||||
Coordinates from ORCA-job orca E -388.639627361464
|
||||
C 2.624571 0.798448 -0.178190
|
||||
C 1.983769 -0.195257 0.461494
|
||||
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|
||||
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|
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||||
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|
||||
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|
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|
||||
C -0.379182 2.968514 -0.381652
|
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|
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H 2.105768 1.498465 -0.849792
|
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|
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H 0.140098 -0.743090 1.372457
|
||||
H 0.947860 -2.736694 0.250457
|
||||
H 1.047975 -1.923933 -1.312841
|
||||
H -1.124269 -3.442078 -0.965109
|
||||
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|
||||
H -2.483136 0.536619 -0.983875
|
||||
H -2.292033 0.109092 0.714067
|
||||
H -0.107143 0.517595 -1.415329
|
||||
H -0.344881 1.815440 1.391960
|
||||
H -0.385507 2.997841 -1.484856
|
||||
H -0.390463 3.935866 0.143974
|
||||
Reference in New Issue
Block a user