PM7 Accuracy
Date:Mon Feb 11 04:20:05 2019
1,4,5,6-tetrahydropyrimidine
613 1,4,5,6-Tetrahydropyrimidine
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ΔHf: 13.2 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
1,4,5,6-Tetrahydropyrimidine
H=13.2 HR=NIST
N 0.00000000 +0 0.0000000 +0 0.0000000 +0 0 0 0
C 1.45301494 +1 0.0000000 +0 0.0000000 +0 1 0 0
C 1.54189626 +1 113.4149701 +1 0.0000000 +0 2 1 0
C 1.53927021 +1 108.6874195 +1 -46.5256755 +1 3 2 1
N 1.47435211 +1 112.3149510 +1 52.6489127 +1 4 3 2
C 1.28660598 +1 120.8196691 +1 18.5519105 +1 1 2 3
H 1.11416277 +1 108.5851357 +1 -123.3476197 +1 2 1 3
H 1.11475324 +1 107.0345995 +1 -114.4172078 +1 2 1 7
H 1.10227911 +1 110.8279883 +1 -121.6636154 +1 3 2 4
H 1.10467349 +1 110.0872622 +1 -117.2198502 +1 3 2 9
H 1.11639499 +1 109.6602179 +1 -118.9777973 +1 4 3 5
H 1.10897848 +1 110.8497562 +1 -117.6203021 +1 4 3 11
H 1.01121996 +1 114.7537133 +1 108.2203251 +1 5 4 3
H 1.10287853 +1 119.2682306 +1 -178.1249785 +1 6 1 2