1,1-dimethylcyclohexane in gas phase
Conformation δE Stat. point 1,2,3,4 2,3,4,5 3,4,5,6 4,5,6,1 5,6,1,2 6,1,2,3
C 0.00 min 56.6 -58.0 58.0 -56.6 53.7 -53.7
TB 5.09 min -65.7 31.3 31.3 -65.7 31.5 31.5
TB 5.09 min 67.5 -31.3 -31.3 65.7 -31.5 -31.5
TB 6.12 min 44.1 -63.3 20.0 39.4 -58.4 14.8
TB 6.12 min -44.1 63.3 -20.0 -39.7 58.4 -14.8
B 6.51 saddle 56.3 -56.6 3.9 49.9 -50.0 -3.2
B 9.99 saddle -2.0 48.7 -48.7 2.0 44.0 -44.0
half-C 10.98 saddle 13.9 14.8 -40.0 -1.5 67.5 -53.4
half-C 10.98 saddle -13.9 -14.8 40.0 1.5 -67.5 53.4
half-C 11.19 saddle -5.6 -30.7 66.5 -66.9 30.2 5.9
half-C 11.19 saddle 5.6 30.7 -66.5 66.9 -30.2 -5.9
half-C 12.12 saddle -65.8 33.6 3.1 -10.1 -20.1 58.3
half-C 12.12 saddle 65.8 -33.6 -3.1 10.1 20.1 -58.3