PM7 Accuracy
Date:Mon Feb 11 04:20:05 2019
4,6-bis(isopropylamino)-2-methylmercapto)-s-triazine
2121 4,6-Bis(isopropylamino)-2-methylmercapto)-s-triazine
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ΔHf: 1.6 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
4,6-Bis(isopropylamino)-2-methylmercapto)-s-triazine
H=1.6 HR=NIST
N 0.02781352 +1 -0.01955734 +1 -0.03213276 +1
C 1.38582445 +1 -0.04135288 +1 0.12956607 +1
N 2.16146829 +1 1.09686658 +1 0.28067983 +1
C 1.48977885 +1 2.26522643 +1 0.29287447 +1
N 0.15519129 +1 2.40292975 +1 0.15809360 +1
C -0.55185079 +1 1.22908418 +1 -0.00316337 +1
N -1.90158880 +1 1.26596368 +1 -0.14702902 +1
C -2.66601003 +1 2.52708431 +1 -0.15113486 +1
C -3.34978987 +1 2.68619354 +1 -1.51632145 +1
C -3.69816890 +1 2.47655639 +1 0.98402549 +1
N 2.04853679 +1 -1.22985029 +1 0.19512948 +1
C 1.37596519 +1 -2.50743239 +1 -0.11444451 +1
C 1.31919783 +1 -2.72649843 +1 -1.63248757 +1
C 2.16220121 +1 -3.62840162 +1 0.57815832 +1
S 2.39332523 +1 3.77760249 +1 0.49863041 +1
C 4.10586071 +1 3.19999465 +1 0.67653048 +1
H -2.40449950 +1 0.39793481 +1 -0.27343625 +1
H -1.96065872 +1 3.39089765 +1 0.01913054 +1
H -4.04900664 +1 1.87129314 +1 -1.72732497 +1
H -2.60828071 +1 2.70443111 +1 -2.32592538 +1
H -3.90805453 +1 3.62713671 +1 -1.56290493 +1
H -4.41052929 +1 1.65534980 +1 0.86028663 +1
H -3.20495913 +1 2.34366860 +1 1.95639406 +1
H -4.26934415 +1 3.40998429 +1 1.03121424 +1
H 3.06139371 +1 -1.21243417 +1 0.19259738 +1
H 0.32820523 +1 -2.46183112 +1 0.29713139 +1
H 2.31322769 +1 -2.72035793 +1 -2.08944232 +1
H 0.72750206 +1 -1.93525149 +1 -2.11488177 +1
H 0.84285419 +1 -3.68216355 +1 -1.87405069 +1
H 2.25605560 +1 -3.44086585 +1 1.65576128 +1
H 3.17193141 +1 -3.74044175 +1 0.16959042 +1
H 1.64880968 +1 -4.58878018 +1 0.45651831 +1
H 4.21416078 +1 2.48285510 +1 1.50128167 +1
H 4.46310002 +1 2.69438118 +1 -0.22947194 +1
H 4.74520514 +1 4.06617238 +1 0.87626608 +1