Accuracy
cis-2-butene
126 cis-2-Butene
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Geometry predicted using PM7
ΔHf: -1.9 kcal/mol, REF: J. O. Cox, G. Pilcher, "Thermochemistry of Organic and Organometallic Compounds," Academic Press, New York, N.Y., 1970.
SYMMETRY PM7
cis-2-Butene
HR=C&P1970 H=-1.86,0.20
C 0.00000000 +0 0.0000000 +0 0.0000000 +0 0 0 0
C 1.33814598 +1 0.0000000 +0 0.0000000 +0 1 0 0
XX 1.00000000 +0 90.0000000 +0 0.0000000 +0 2 1 0
C 1.48914231 +1 123.8441220 +1 0.0001906 +1 2 1 3
C 1.48914231 +0 123.8441220 +0 0.0001906 +0 1 2 3
H 1.08851132 +1 120.9708016 +1 179.9995720 +1 1 2 3
H 1.08851132 +0 120.9708016 +0 179.9995720 +0 2 1 3
H 1.10018514 +1 111.3406254 +1 59.6245808 +1 4 2 1
H 1.09696669 +1 112.4412045 +1 -179.9657206 +1 4 2 1
H 1.10018384 +1 111.3423996 +1 -59.5541799 +1 4 2 1
H 1.10018514 +0 111.3406254 +0 59.6245808 +0 5 1 2
H 1.09696669 +0 112.4412045 +1 -179.9657206 +0 5 1 2
H 1.10018384 +1 111.3423996 +1 -59.5541799 +0 5 1 2
4 1 5
4 2 5
4 3 5
6 1 7
6 2 7
6 3 7
8 1 11
8 2 11
8 3 11
9 1 12
9 2 12
9 3 12
10 1 13
10 2 13
10 3 13