PM7 Accuracy
Date:Mon Feb 11 04:20:05 2019
cyclobutyl, cation
123 Cyclobutyl, cation
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ΔHf: 213.0 kcal/mol, REF: H. Halim, N. Heinrich, W. Koch, J. Schmidt, G. Frenking, J. Comp. Chem., 7, 93 (1986), references therein.
CHARGE=1 PM7
Cyclobutyl, cation
H=213 HR=HHKS1986
C 0.00000000 +0 0.0000000 +0 0.0000000 +0 0 0 0
C 2.15170326 +1 0.0000000 +0 0.0000000 +0 1 0 0
C 1.56412127 +1 46.5756782 +1 0.0000000 +0 1 2 0
C 1.46085479 +1 89.1518311 +1 0.0089880 +1 1 3 2
H 1.11687335 +1 116.2572966 +1 120.7772956 +1 1 3 2
H 1.11688932 +1 116.2354688 +1 -120.6921033 +1 1 3 2
H 1.11680076 +1 116.2408783 +1 -120.7382569 +1 2 3 1
H 1.11681559 +1 116.2193546 +1 120.6533113 +1 2 3 1
H 1.09812674 +1 115.4586235 +1 116.7861647 +1 3 1 4
H 1.09812789 +1 115.4681810 +1 -116.7411762 +1 3 1 4
H 1.08463246 +1 132.6207982 +1 179.9645875 +1 4 1 3