PM7 Accuracy
Date:Mon Feb 11 04:20:05 2019
seethr
4049 Ethyl selanol (anti) (Geo)
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REF: J. Nakagawa, H. Okutani, M. Hayashi, J. Mol. Spectrosc., 94, 410 (1982).
PM7
Ethyl selanol (anti)
<Se-H> <Se-C> <H-Se-C> <><Se-C-C> GR=NOH1982
H 0.00000000 +0 0.0000000 +0 0.0000000 +0 0 0 0
Se 1.44000000 +1 0.0000000 +0 0.0000000 +0 1 0 0
C 1.96200000 +1 93.5000000 +1 0.0000000 +0 2 1 0
C 1.51267293 +1 108.7000000 +1 177.5396986 +1 3 2 1
H 1.09335714 +1 108.1412839 +1 56.1284133 +1 3 2 1
H 1.09352176 +1 108.0108735 +1 -61.1437728 +1 3 2 1
H 1.09837134 +1 111.9733511 +1 60.2680145 +1 4 3 2
H 1.09841162 +1 111.9739795 +1 -60.4344172 +1 4 3 2
H 1.09902515 +1 111.1697457 +1 179.9116026 +1 4 3 2