PM7 Accuracy
Date:Mon Feb 11 04:20:05 2019
4-aminobutanoic acid
1227 4-Aminobutanoic acid
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ΔHf: -105.0 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-Aminobutanoic acid
H=-105.0 HR=NIST
N -0.04208619 +1 0.03798257 +1 -0.10814654 +1
C 1.40881070 +1 0.08114225 +1 -0.39652405 +1
C 1.90878510 +1 1.52069511 +1 -0.18402442 +1
C 3.43173375 +1 1.57550393 +1 -0.30333788 +1
C 3.90819043 +1 2.98882648 +1 -0.21610762 +1
O 5.26782244 +1 3.01626880 +1 -0.13709185 +1
O 3.27816711 +1 4.01180784 +1 -0.21304839 +1
H -0.56495282 +1 0.64624265 +1 -0.71585752 +1
H -0.41017764 +1 -0.89486955 +1 -0.18101482 +1
H 1.65820020 +1 -0.26647260 +1 -1.42130006 +1
H 1.91601222 +1 -0.60844172 +1 0.31513120 +1
H 1.43490774 +1 2.21105966 +1 -0.90984637 +1
H 1.57848350 +1 1.88582324 +1 0.81220277 +1
H 3.77471349 +1 1.12746180 +1 -1.26205190 +1
H 3.91454270 +1 0.96343936 +1 0.49078277 +1
H 5.64258680 +1 3.92898218 +1 -0.08489143 +1