PM7 Accuracy
Date:Mon Feb 11 04:20:05 2019
isopropanol
756 Isopropanol
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ΔHf: -65.1 kcal/mol, REF: J. O. Cox, G. Pilcher, "Thermochemistry of Organic and Organometallic Compounds," Academic Press, New York, N.Y., 1970.
PM7
Isopropanol
H=-65.1 HR=C&P1970 S=73.90 CP=21.34
C 0.00000000 +0 0.0000000 +0 0.0000000 +0 0 0 0
C 1.52967428 +1 0.0000000 +0 0.0000000 +0 1 0 0
C 1.52917314 +1 111.9591106 +1 0.0000000 +0 1 2 0
O 1.41224541 +1 109.8511846 +1 122.5376176 +1 1 2 3
H 1.11568391 +1 111.4302598 +1 -125.7129527 +1 1 2 3
H 1.09770204 +1 110.5128846 +1 -177.1346871 +1 2 1 3
H 1.09437475 +1 111.9340690 +1 -57.6050717 +1 2 1 3
H 1.09457552 +1 111.4217262 +1 63.0616824 +1 2 1 3
H 1.09771771 +1 110.5216345 +1 177.1769322 +1 3 1 2
H 1.09440333 +1 111.9265575 +1 57.6316071 +1 3 1 2
H 1.09459625 +1 111.4223552 +1 -63.0241069 +1 3 1 2
H 0.97478904 +1 111.4592122 +1 -62.2193056 +1 4 1 2