PM7 Accuracy
Date:Mon Feb 11 04:20:05 2019
4-amino-2(1h)-pyrimidinone
1026 4-Amino-2(1H)-pyrimidinone
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ΔHf: -14.2 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
4-Amino-2(1H)-pyrimidinone
H=-14.2 HR=NIST
N 0.00000000 +0 0.0000000 +0 0.0000000 +0 0 0 0
C 1.35033079 +1 0.0000000 +0 0.0000000 +0 1 0 0
C 1.39371894 +1 122.9742137 +1 0.0000000 +0 2 1 0
C 1.41906453 +1 117.2476086 +1 0.0189406 +1 3 2 1
N 1.36922792 +1 121.1976623 +1 0.0190651 +1 4 3 2
C 1.35825339 +1 115.7813281 +1 -0.0378429 +1 5 4 3
O 1.34071564 +1 117.1961707 +1 179.9702247 +1 6 5 4
N 1.36652344 +1 122.8544746 +1 -179.9917552 +1 4 3 5
H 1.09929360 +1 115.0702749 +1 -179.9863455 +1 2 1 3
H 1.07895299 +1 121.3393058 +1 179.9998010 +1 3 2 4
H 1.00691969 +1 110.4874319 +1 0.0004991 +1 7 6 5
H 1.00157270 +1 120.2817068 +1 -179.9937165 +1 8 4 3
H 0.99524272 +1 121.2653269 +1 -179.9985473 +1 8 4 12