PM7 Accuracy
Date:Mon Feb 11 04:20:05 2019
n,n-dimethyl-p-nitroaniline
1296 N,N-Dimethyl-p-nitroaniline
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ΔHf: 16.1 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-p-nitroaniline
H=16.1 HR=NIST
C 0.00000000 +0 0.0000000 +0 0.0000000 +0 0 0 0
C 1.42336741 +1 0.0000000 +0 0.0000000 +0 1 0 0
C 1.37936428 +1 120.3885062 +1 0.0000000 +0 2 1 0
C 1.40305543 +1 120.1160611 +1 -0.0494928 +1 3 2 1
C 1.40318067 +1 120.3368953 +1 -0.0212237 +1 4 3 2
C 1.37912339 +1 120.1285353 +1 0.0333945 +1 5 4 3
N 1.36491029 +1 120.6789363 +1 -179.8484204 +1 1 2 3
N 1.43690443 +1 119.8507736 +1 179.9993757 +1 4 3 5
O 1.22359107 +1 118.5569997 +1 -0.0603981 +1 8 4 3
O 1.22360746 +1 118.5419384 +1 -179.9963581 +1 8 4 9
H 1.08448154 +1 120.4003499 +1 179.9916801 +1 2 1 3
H 1.09709951 +1 120.3900349 +1 -179.9895332 +1 3 2 4
C 1.46157338 +1 121.4202631 +1 -0.0241169 +1 7 1 2
H 1.08447529 +1 119.2234724 +1 -179.9959891 +1 6 5 4
H 1.09716287 +1 119.4513931 +1 179.9965900 +1 5 4 6
C 1.46158134 +1 121.4133173 +1 -179.7171008 +1 7 1 13
H 1.10714913 +1 110.8620570 +1 -60.7782956 +1 13 7 1
H 1.10721830 +1 110.8404790 +1 120.7801773 +1 13 7 17
H 1.10279767 +1 111.4651589 +1 119.5652107 +1 13 7 18
H 1.10717845 +1 110.8452508 +1 -60.5547277 +1 16 7 1
H 1.10715521 +1 110.8637743 +1 120.7937965 +1 16 7 20
H 1.10282084 +1 111.4613244 +1 119.6001501 +1 16 7 21