Accuracy
c4h8ser
4051 Tetrahydroselenophene (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).
PM7
Tetrahydroselenophene
<Se-C2> <> <C5-Se-C2> <C2-C3> <Se-C2-C3> GR=HLKS1979 GWT=0.707
Se 0.00000000 +0 0.0000000 +0 0.0000000 +0 0 0 0
C 1.96300000 +1 0.0000000 +0 0.0000000 +0 1 0 0
C 1.99712499 +1 90.7000000 +1 0.0000000 +0 1 2 0
C 1.54900000 +1 104.0000000 +1 -16.2363276 +1 2 1 3
C 1.51291795 +1 104.5003980 +0 -12.5927275 +1 3 1 2
H 1.08809977 +1 108.4737630 +1 -136.9605493 +1 2 1 3
H 1.08916709 +1 107.4848488 +1 -134.2751239 +1 3 1 2
H 1.10438798 +1 111.3491645 +1 -149.4703561 +1 4 5 1
H 1.10799649 +1 110.7369381 +1 -149.2495133 +1 5 4 1
H 1.08855892 +1 108.5596911 +1 104.0205585 +1 2 1 3
H 1.08997291 +1 106.9440813 +1 108.3281839 +1 3 1 2
H 1.10495952 +1 111.1746833 +1 92.3898103 +1 4 5 1
H 1.10834478 +1 110.5177144 +1 94.3532711 +1 5 4 1