PM7 Accuracy
Date:Mon Feb 11 04:20:05 2019
4-methylthiazole
2114 4-Methylthiazole
(Previous)
(Back)
(Next)
ΔHf: 26.7 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
4-Methylthiazole
H=26.71 HR=NIST
N 0.00000000 +0 0.0000000 +0 0.0000000 +0 0 0 0
C 1.40591208 +1 0.0000000 +0 0.0000000 +0 1 0 0
C 1.37012113 +1 114.8068284 +1 0.0000000 +0 2 1 0
S 1.73719825 +1 110.2115690 +1 0.0059581 +1 3 2 1
C 1.30646472 +1 112.3658919 +1 -0.0180607 +1 1 2 3
C 1.47906565 +1 117.8353313 +1 179.9798188 +1 2 1 3
H 1.07268815 +1 127.2404639 +1 179.9962920 +1 3 2 4
H 1.08209085 +1 123.9529251 +1 -179.9966284 +1 5 1 2
H 1.10390568 +1 111.0863203 +1 -60.8030590 +1 6 2 1
H 1.10398228 +1 111.1207175 +1 117.8311331 +1 6 2 9
H 1.09787083 +1 112.6049227 +1 121.0920199 +1 6 2 10