PM7 Accuracy
Date:Mon Feb 11 04:20:05 2019
2,5-dimethyl-1h-pyrrole
509 2,5-Dimethyl-1H-pyrrole
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ΔHf: 9.5 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
2,5-Dimethyl-1H-pyrrole
H=9.5 HR=NIST
C 0.00000000 +0 0.0000000 +0 0.0000000 +0 0 0 0
C 1.47551056 +1 0.0000000 +0 0.0000000 +0 1 0 0
C 1.39168442 +1 130.5748240 +1 0.0000000 +0 2 1 0
C 1.42530114 +1 107.6159788 +1 179.9678824 +1 3 2 1
C 1.39169434 +1 107.6718318 +1 0.0008150 +1 4 3 2
C 1.47552520 +1 130.5368543 +1 179.9638785 +1 5 4 3
N 1.39678247 +1 121.3675096 +1 179.9829658 +1 2 1 3
H 1.10046652 +1 112.0539743 +1 119.5410091 +1 1 2 3
H 1.10049135 +1 112.0587977 +1 121.3068063 +1 1 2 8
H 1.10192633 +1 111.0051072 +1 119.3415154 +1 1 2 9
H 1.06651913 +1 126.8080334 +1 -179.9969097 +1 3 2 4
H 1.06662804 +1 125.4603533 +1 -179.9984609 +1 4 3 5
H 1.10043435 +1 112.0820510 +1 120.2057769 +1 6 5 4
H 1.10052485 +1 112.0333136 +1 121.3190520 +1 6 5 13
H 1.10197366 +1 110.9908095 +1 119.3170220 +1 6 5 14
H 0.99073787 +1 125.6737777 +1 0.0033607 +1 7 2 1