PM7 Accuracy

tetramethylthiourea   2122 Tetramethylthiourea

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    #  Species Formula
  2112 Methyl isothiocyanate (Geo)C2H3NS
  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 Tetramethylthiourea C5H12N2S
  2123 4,6-Bis(isopropylamino)-2-methylmercapto)-s-triazineC10H19N5S
  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


DHf: 5.5 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
Tetramethylthiourea
 H=5.47 HR=NIST
  C     0.00000000  0    0.0000000  0    0.0000000  0     0     0     0
  N     1.38148879  1    0.0000000  0    0.0000000  0     1     0     0
  C     1.47157230  1  120.8082671  1    0.0000000  0     2     1     0
  C     1.47121419  1  118.8815619  1 -148.6641888  1     2     1     3
  N     1.38032042  1  117.3742321  1  -36.5305742  1     1     2     3
  C     1.47131607  1  120.9580261  1  -35.4287680  1     5     1     2
  C     1.47106757  1  118.9992083  1 -149.3733302  1     5     1     6
  S     1.69478542  1  121.3699655  1 -179.9922533  1     1     2     5
  H     1.10399143  1  112.2333392  1   -3.3976467  1     3     2     1
  H     1.10395810  1  109.6954302  1  121.0651983  1     3     2     9
  H     1.10526966  1  111.1580029  1  119.7373443  1     3     2    10
  H     1.10820835  1  110.5161986  1  -50.7706454  1     4     2     1
  H     1.10540823  1  112.7511119  1  120.7706264  1     4     2    12
  H     1.10305740  1  109.3543485  1  121.4919802  1     4     2    13
  H     1.10417812  1  109.6966174  1  116.7766415  1     6     5     1
  H     1.10413949  1  112.2097509  1 -120.9941428  1     6     5    15
  H     1.10502104  1  111.1814084  1 -119.2664223  1     6     5    16
  H     1.10825070  1  110.5279545  1  -50.9770257  1     7     5     1
  H     1.10547912  1  112.7029154  1  120.7932577  1     7     5    18
  H     1.10306932  1  109.4096198  1  121.4640254  1     7     5    19