PM7 Accuracy
Date:Mon Feb 11 04:20:05 2019
geh3ncor
3884 Germyl isocyanate (Geo)
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REF: J. D. Murdoch, D. W. H. Rankin, B. Beagley, J. Mol. Struct., 31, 291, (1976).
PM7
Germyl isocyanate
<Ge-H> <Ge-N> GR=MRB1976
H 0.00000000 +0 0.0000000 +0 0.0000000 +0 0 0 0
Ge 1.53200000 +1 0.0000000 +0 0.0000000 +0 1 0 0
N 1.83100000 +1 104.3203111 +1 0.0000000 +0 2 1 0
C 1.19711730 +1 161.0166423 +1 150.8225136 +1 3 2 1
O 1.18080070 +1 174.4522446 +1 -40.6107137 +1 4 3 1
H 1.50892898 +1 113.9613929 +1 120.0000000 +0 2 1 3
H 1.52051289 +1 110.9016534 +1 -112.5936097 +1 2 1 3