PM7 Accuracy
Date:Mon Feb 11 04:20:05 2019
isopropylamine
475 Isopropylamine
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ΔHf: -20.0 kcal/mol, REF: J. O. Cox, G. Pilcher, "Thermochemistry of Organic and Organometallic Compounds," Academic Press, New York, N.Y., 1970.
GEO-OK PM7
Isopropylamine
H=-20.0 HR=C&P1970
C -0.00920393 +1 0.00229389 +1 0.00007147 +1
C 1.53188430 +1 0.00034999 +1 0.00590040 +1
C 2.06739486 +1 1.43925209 +1 -0.00354744 +1
H -0.40909597 +1 0.48353067 +1 -0.89733871 +1
H -0.40843369 +1 -1.01535994 +1 0.04232956 +1
H -0.40487036 +1 0.54579860 +1 0.86447560 +1
H 1.89673047 +1 -0.52332744 +1 0.92954234 +1
N 2.10369788 +1 -0.73089762 +1 -1.14626199 +1
H 1.93379705 +1 -0.26059123 +1 -2.01892961 +1
H 1.75043266 +1 -1.67075222 +1 -1.20986122 +1
H 1.69155009 +1 2.01133026 +1 -0.85759897 +1
H 1.78525851 +1 1.97216728 +1 0.90944302 +1
H 3.16416447 +1 1.43903045 +1 -0.06742747 +1