PM7 Accuracy
Date:Mon Feb 11 04:20:05 2019
2-chlorobenzaldehyde
2382 2-Chlorobenzaldehyde
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ΔHf: -15.1 kcal/mol, REF: P. Winget, A.H.C. Horn, C. Seloki, B. Martin, T. Clark, J. Mol. Model. 9, 408 (2003).
PM7
2-Chlorobenzaldehyde
H=-15.1 HR=WHSMC03
Cl 0.00000000 +0 0.0000000 +0 0.0000000 +0 0 0 0
C 1.71057165 +1 0.0000000 +0 0.0000000 +0 1 0 0
C 1.38824949 +1 117.6434024 +1 0.0000000 +0 2 1 0
C 1.39513868 +1 118.5285537 +1 -179.9966872 +1 3 2 1
C 1.39447816 +1 120.2226459 +1 0.0020658 +1 4 3 2
C 1.39306202 +1 120.1789109 +1 0.0003668 +1 5 4 3
C 1.39138297 +1 119.8293269 +1 -179.9951756 +1 2 1 3
C 1.48276577 +1 123.3330284 +1 -0.0101893 +1 7 2 1
O 1.20776900 +1 120.8451212 +1 -179.9977994 +1 8 7 2
H 1.09004116 +1 121.2003625 +1 -179.9995432 +1 3 2 4
H 1.09065513 +1 119.7530645 +1 179.9968167 +1 4 3 5
H 1.08962199 +1 119.9520327 +1 -179.9985967 +1 5 4 6
H 1.09584315 +1 120.4704688 +1 -179.9966461 +1 6 5 4
H 1.09747505 +1 118.7797827 +1 179.9995717 +1 8 7 9