PM7 Accuracy
Date:Mon Feb 11 04:20:05 2019
thiourea
2119 Thiourea
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ΔHf: 5.5 kcal/mol, REF: P. Winget, C. Selcuki, A. H. C. Horn, B. Martin, T. Clark, Theor. Chem. Acc., 110, 254 (2003)
PM7
Thiourea
H=5.5 HR=WSHC2003
S 0.00000000 +0 0.0000000 +0 0.0000000 +0 0 0 0
C 1.68662701 +1 0.0000000 +0 0.0000000 +0 1 0 0
N 1.37006521 +1 121.6615628 +1 0.0000000 +0 2 1 0
N 1.37006241 +1 121.6315012 +1 179.9997658 +1 2 1 3
H 1.00679036 +1 119.6662977 +1 -0.0002345 +1 3 2 1
H 0.99623737 +1 123.8596889 +1 179.9995869 +1 3 2 1
H 1.00678299 +1 119.6720017 +1 0.0002108 +1 4 2 1
H 0.99624094 +1 123.8583868 +1 179.9998836 +1 4 2 1