PM7 Accuracy

4,6-bis(isopropylamino)-2-methylmercapto)-s-triazine   2123 4,6-Bis(isopropylamino)-2-methylmercapto)-s-triazine

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    #  Species Formula
  2113 Methyl isothiocyanateC2H3NS
  2114 Methyl thiocyanateC2H3NS
  2115 EthanethioamideC2H5NS
  2116 4-MethylthiazoleC4H5NS
  2117 BenzothiazoleC7H5NS
  2118 BenzenecarbothioamideC7H8NS
  2119 N,N-(Dimethyl)thiobenzamideC9H11NS
  2120 PhenothiazineC12H9NS
  2121 ThioureaCH4N2S
  2122 TetramethylthioureaC5H12N2S
  2123 4,6-Bis(isopropylamino)-2-methylmercapto)-s-triazine C10H19N5S
  2124 Sulfur monoxide (triplet)OS
  2125 HOSHOS
  2126 Carbon oxysulfideCOS
  2127 Ethyne sulfenic acidC2H2OS
  2128 Thiolacetic acidC2H4OS
  2129 Dimethyl sulfoxideC2H6OS
  2130 Dimethyl sulfoxide (Geo)C2H6OS
  2131 S-EthylthioacetateC4H8OS
  2132 Diethyl sulfoxideC4H10OS
  2133 Benzenesulfenic acidC6H6OS


DHf: 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