PM7 Accuracy
Date:Mon Feb 11 04:20:05 2019
Thiocyanogen
2264 Thiocyanogen
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ΔHf: 82.3 kcal/mol, REF: NIST Chemistry WebBook, NIST Standard Reference Database, No. 69; W. G. Mallard, P. J. Linstrom, Eds., National Institute of Standards and Technology, Gaithersberg, http://webbook.nist.gov/chemistry.
PM7
Thiocyanogen
H=82.3 HR=NIST
S 0.00000000 +0 0.0000000 +0 0.0000000 +0 0 0 0
C 1.54138586 +1 0.0000000 +0 0.0000000 +0 1 0 0
N 1.21205013 +1 171.9362201 +1 0.0000000 +0 2 1 0
S 1.70701090 +1 148.5471880 +1 -179.8526323 +1 3 2 1
C 1.69879611 +1 104.6269217 +1 3.1820126 +1 4 3 2
N 1.15730841 +1 144.1199096 +1 -179.9891288 +1 5 3 4