Accuracy
VC12 (CPLHLV01) r
3014 VC12 (CPLHLV01) (Geo)
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REF: The Cambridge Structural Database: a quarter of a million crystal structures and rising. F. H. Allen, Acta Cryst. B58, 380-388, (2002)
UHF PM7
VC12 (CPLHLV01)
<V-C(cp)> <><> <><><> <V-C(C6)> GR=CCDC
V 0.00000000 +0 0.0000000 +0 0.0000000 +0 0 0 0
C 2.25259400 +1 0.0000000 +0 0.0000000 +0 1 0 0
C 1.43782267 +1 71.7909272 +1 0.0000000 +0 2 1 0
C 1.43697152 +1 107.9367007 +1 -62.7495534 +1 3 2 1
C 2.18319100 +1 98.3454208 +1 -116.7011826 +1 1 2 3
C 1.42998941 +1 70.7267387 +1 110.9787742 +1 5 1 2
C 1.42982457 +1 128.6068711 +1 44.1065789 +1 6 5 1
C 1.42905830 +1 128.6398563 +1 -0.5805030 +1 7 6 5
H 1.10322614 +1 115.5642538 +1 174.5305046 +1 7 6 8
H 1.10311343 +1 115.5683949 +1 173.9700900 +1 6 5 7
H 1.08062325 +1 125.6190715 +1 -170.7263052 +1 4 3 2
H 1.08072541 +1 125.6433282 +1 -170.5313019 +1 3 2 4
H 1.10300030 +1 115.6537086 +1 174.4380046 +1 8 7 6
H 1.10272103 +1 144.3532050 +1 -107.4423093 +1 5 1 6
H 1.08111593 +1 130.2544233 +1 121.5962299 +1 2 1 3
C 1.43781907 +1 71.8072228 +1 121.5883382 +1 2 1 15
C 1.43698074 +1 107.9513700 +1 62.7630048 +1 16 2 1
H 1.08062911 +1 125.6193274 +1 170.7283351 +1 17 16 2
C 1.42967026 +1 70.7968198 +1 -107.5540964 +1 5 1 14
C 1.42939027 +1 128.6573582 +1 -43.7965919 +1 19 5 1
C 1.42993503 +1 128.6195867 +1 0.1822623 +1 20 19 5
H 1.10313609 +1 115.6049973 +1 -174.4277644 +1 20 19 21
H 1.10283797 +1 115.6399910 +1 -174.3226305 +1 21 20 19
H 1.10326244 +1 115.5531498 +1 -174.2536760 +1 19 5 20
H 1.08068687 +1 125.6426649 +1 170.5536484 +1 16 2 17