PM7 Accuracy
Date:Mon Feb 11 04:20:05 2019
c4h4ser
4051 Selenophene (Geo)
(Previous)
(Back)
(Next)
REF: M. D. Harmony, V. W. Laurie, R. L. Kuczkowsky, R. H. Schwendeman, D. A. Ramsay, F. J. Lovas, W. J. Lafferty, A. G. Maki, J. Phys. Chem. Ref. Data 8, 3 (1979).
SYMMETRY PM7
Selenophene
<Se-C2> <C5-Se-C2> <C2-C3> <Se-C2-C3> <C2-H> <Se-C2-H2> GR=HLKS1979 GWT=0.707
Se 0.00000000 +0 0.0000000 +0 0.0000000 +0 0 0 0
C 1.85500000 +1 0.0000000 +0 0.0000000 +0 1 0 0
C 1.85500000 +0 87.8000000 +1 0.0000000 +0 1 2 0
C 1.36900000 +1 111.6000000 +1 0.0000000 +0 2 1 3
C 1.36900000 +0 111.6000000 +0 0.0000000 +0 3 1 2
H 1.07000000 +1 121.7000000 +1 180.0000000 +0 2 1 3
H 1.06530111 +1 120.5874337 +1 180.0000000 +0 3 1 2
H 1.07962989 +1 121.2023138 +1 180.0000000 +0 4 5 1
H 1.07972315 +1 121.2232903 +1 180.0000000 +0 5 4 1