PM7 Accuracy
Date:Mon Feb 11 04:20:05 2019
n,n-dimethyl-m-nitroaniline
1295 N,N-Dimethyl-m-nitroaniline
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ΔHf: 17.4 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-m-nitroaniline
H=17.4 HR=NIST
C 0.00000000 +0 0.0000000 +0 0.0000000 +0 0 0 0
C 1.41409457 +1 0.0000000 +0 0.0000000 +0 1 0 0
C 1.38774332 +1 120.8979392 +1 0.0000000 +0 2 1 0
C 1.39403742 +1 120.9735913 +1 -0.4039129 +1 3 2 1
C 1.39310653 +1 118.0288472 +1 -0.1111345 +1 4 3 2
C 1.39142441 +1 122.4115233 +1 0.0263189 +1 5 4 3
N 1.39905489 +1 120.7433242 +1 -172.9366880 +1 1 2 3
N 1.46115467 +1 118.9932689 +1 -179.7039301 +1 5 4 6
O 1.22099344 +1 118.3213700 +1 176.5685400 +1 8 5 4
O 1.22030749 +1 118.2585630 +1 -179.9035123 +1 8 5 9
H 1.08729657 +1 120.2118215 +1 179.3982086 +1 2 1 3
H 1.09142340 +1 119.5798202 +1 179.9981446 +1 3 2 4
C 1.47140366 +1 117.2253737 +1 -26.2150275 +1 7 1 2
H 1.09146866 +1 119.3231506 +1 -179.7356393 +1 6 5 4
C 1.47180101 +1 117.3110331 +1 -139.4209574 +1 7 1 13
H 1.10243575 +1 113.2407061 +1 -57.0679974 +1 13 7 1
H 1.10536240 +1 109.5535690 +1 121.8656386 +1 13 7 16
H 1.10352859 +1 110.2118029 +1 116.6671850 +1 13 7 17
H 1.10696663 +1 109.3535940 +1 -63.9113933 +1 15 7 1
H 1.10256681 +1 113.3957993 +1 121.7851032 +1 15 7 19
H 1.10302668 +1 110.1782974 +1 121.6771941 +1 15 7 20
H 1.09128757 +1 121.0056181 +1 -179.9590135 +1 4 3 5