PM7 Accuracy
Date:Mon Feb 11 04:20:05 2019
n,n-dimethyl-1,3-propanediamine
622 N,N-Dimethyl-1,3-propanediamine
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ΔHf: -8.3 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
N,N-Dimethyl-1,3-propanediamine
H=-8.29 HR=NIST
C -0.09678511 +1 0.14350091 +1 -0.20576075 +1
N 1.36656278 +1 -0.06610288 +1 -0.21443724 +1
C 2.06681244 +1 1.22324979 +1 -0.02450491 +1
C 1.81267692 +1 -0.72060204 +1 -1.47031424 +1
C 1.51178332 +1 -2.22707161 +1 -1.37877088 +1
C 1.99961709 +1 -2.94269861 +1 -2.64723248 +1
N 1.75417903 +1 -4.39834039 +1 -2.51500957 +1
H -0.60310491 +1 -0.83191208 +1 -0.29294420 +1
H -0.47063770 +1 0.80191900 +1 -1.00331052 +1
H -0.38934020 +1 0.57131921 +1 0.76768784 +1
H 3.14645772 +1 1.02847397 +1 0.08809004 +1
H 1.92148472 +1 1.94776251 +1 -0.83863055 +1
H 1.72397454 +1 1.68410765 +1 0.91683189 +1
H 2.91087195 +1 -0.57695240 +1 -1.57754279 +1
H 1.34382944 +1 -0.28302418 +1 -2.37577827 +1
H 2.00996092 +1 -2.65392833 +1 -0.48326344 +1
H 0.43308621 +1 -2.40197334 +1 -1.22218336 +1
H 1.51552545 +1 -2.50555664 +1 -3.54601574 +1
H 3.09819112 +1 -2.80431807 +1 -2.76644691 +1
H 0.81075187 +1 -4.59558869 +1 -2.22691758 +1
H 1.93849372 +1 -4.88499152 +1 -3.37582182 +1