Accuracy
cis-2-pentene
160 cis-2-Pentene
(Previous)
(Back)
(Next)
Geometry predicted using PM7
ΔHf: -6.1 kcal/mol, REF: J. B. Pedley, R. D. Naylor, and S. P. Kirby, "Thermochemical Data of Organic Compounds", second edition, University of Sussex, 1986.
PM7
cis-2-Pentene
H=-6.14 HR=PNK1986
C 0.00000000 +0 0.0000000 +0 0.0000000 +0 0 0 0
C 1.52996373 +1 0.0000000 +0 0.0000000 +0 1 0 0
C 1.49406147 +1 112.2460342 +1 0.0000000 +0 2 1 0
C 1.33724760 +1 124.4762885 +1 -179.6943540 +1 3 2 1
C 1.48832169 +1 125.4614730 +1 0.0068536 +1 4 3 2
H 1.09567537 +1 111.1769092 +1 179.9979395 +1 1 2 3
H 1.09592808 +1 111.4422088 +1 60.1075219 +1 1 2 3
H 1.09592798 +1 111.4575101 +1 -60.0940972 +1 1 2 3
H 1.11118896 +1 109.5581045 +1 57.5821765 +1 2 1 6
H 1.11121611 +1 109.5749785 +1 -57.5909334 +1 2 1 6
H 1.08974364 +1 114.8981802 +1 0.3046455 +1 3 2 1
H 1.09109535 +1 120.4019693 +1 179.9927000 +1 4 3 2
H 1.10021255 +1 110.9181284 +1 -121.0199232 +1 5 4 3
H 1.09697245 +1 113.3110390 +1 -0.5401146 +1 5 4 3
H 1.10025175 +1 110.8867394 +1 119.9213550 +1 5 4 3