PM7 Accuracy
Date:Mon Feb 11 04:20:05 2019
cyanogen bromide
4127 Cyanogen bromide
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ΔHf: 43.3 kcal/mol, REF: J. O. Cox, G. Pilcher, "Thermochemistry of Organic and Organometallic Compounds," Academic Press, New York, N.Y., 1970.
PM7
Cyanogen bromide
H=43.3 HR=C&P1970 S=59.34 CP=11.21
Br 0.00000000 +0 0.0000000 +0 0.0000000 +0 0 0 0
C 1.78241212 +1 0.0000000 +0 0.0000000 +0 1 0 0
N 1.15245716 +1 180.0000000 +1 0.0000000 +0 2 1 0