Accuracy
cis-dimethylcyclopropane
94 cis-Dimethylcyclopropane
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Geometry predicted using PM7
ΔHf: 1.3 kcal/mol, REF: R. B. Turner, P. Goebel, B. J. Mallon, W. von E. Doering, J. F. Coburn, M. Pomerantz, J. Am. Chem. Soc., 90, 4315 (1968).
cis-Dimethylcyclopropane
H=1.3 HR=TGMD1968
C -0.02032276 +1 0.01308603 +1 0.01408166 +1
C 1.49421178 +1 0.01527153 +1 -0.01463611 +1
C 0.74374753 +1 1.33098321 +1 0.01109775 +1
C -0.75378925 +1 -0.47355852 +1 1.23367284 +1
C 0.80428727 +1 2.21355912 +1 1.22771516 +1
H -0.54254737 +1 -0.25656758 +1 -0.91253895 +1
H 2.01816290 +1 -0.29084034 +1 -0.91342232 +1
H 2.04685243 +1 -0.30486938 +1 0.86226882 +1
H 0.71416145 +1 1.91606912 +1 -0.91697761 +1
H -0.19694053 +1 -0.29645006 +1 2.16116023 +1
H -1.72448779 +1 0.02988644 +1 1.33648150 +1
H -0.94242972 +1 -1.55344165 +1 1.17184245 +1
H 0.92424341 +1 1.64420524 +1 2.15718455 +1
H 1.65036590 +1 2.91087021 +1 1.16434003 +1
H -0.11210601 +1 2.81034933 +1 1.32748382 +1