PM7 Accuracy
Date:Mon Feb 11 04:20:05 2019
phosphetethene
1955 Phosphetethene
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ΔHf: 28.4 kcal/mol, REF: P. Winget, A.H.C. Horn, C. Seloki, B. Martin, T. Clark, J. Mol. Model. 9, 408 (2003).
PM7
Phosphetethene
HR=WHSMC03 H=28.4 HR=WHSMC03
P 0.00000000 +0 0.0000000 +0 0.0000000 +0 0 0 0
C 1.93405629 +1 0.0000000 +0 0.0000000 +0 1 0 0
C 1.52686417 +1 66.8298206 +1 0.0000000 +0 2 1 0
H 1.50353159 +1 102.8449076 +1 -95.5827154 +1 1 2 3
H 1.10009493 +1 121.0300329 +1 111.8797520 +1 2 1 3
H 1.10599260 +1 118.6620339 +1 -110.0432650 +1 3 2 1
H 1.10611161 +1 117.8064872 +1 136.7453085 +1 2 1 5
H 1.09991019 +1 119.7543287 +1 -136.5062757 +1 3 2 6