PM7 Accuracy
Date:Mon Feb 11 04:20:05 2019
chlorobenzener
2357 Chlorobenzene (Geo)
(Previous)
(Back)
(Next)
REF: P. Winget, A.H.C. Horn, C. Seloki, B. Martin, T. Clark, J. Mol. Model. 9, 408 (2003).
PM7
Chlorobenzene
<> <><> <><><> <><><> <><><> <C-Cl> GR=WHSMC03
C 0.00000000 +0 0.0000000 +0 0.0000000 +0 0 0 0
C 1.39464381 +1 0.0000000 +0 0.0000000 +0 1 0 0
C 1.39493624 +1 120.1895686 +1 0.0000000 +0 2 1 0
C 1.39498456 +1 120.3982243 +1 -0.0236134 +1 3 2 1
C 1.39457565 +1 120.1990948 +1 -0.0147129 +1 4 3 2
C 1.38797601 +1 118.0728630 +1 0.0167628 +1 5 4 3
Cl 1.72200000 +1 118.4846658 +1 -179.9854454 +1 6 5 4
H 1.08926782 +1 120.5520169 +1 -179.9832484 +1 1 2 3
H 1.08932545 +1 119.7769398 +1 179.9880110 +1 2 1 3
H 1.08896932 +1 119.8122853 +1 179.9995501 +1 3 2 4
H 1.08934328 +1 120.0065978 +1 -179.9996633 +1 4 3 5
H 1.08928636 +1 120.5627796 +1 -179.9959703 +1 5 4 6