PM7 Accuracy

methionine   2167 Methionine

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    #  Species Formula
  2157 Di-n-butyl sulfoneC8H18O2S
  2158 Di-tert-butyl sulfoneC8H18O2S
  2159 Diisobutyl sulfoneC8H18O2S
  2160 (E)-1-Methyl-4-(1-propenyl-sulfonyl)-benzeneC10H12O2S
  2161 1-Methyl-4-(1-methyl-ethenylsulfonyl) benzeneC10H12O2S
  2162 2-Butenyl p-tolyl sulfoneC11H14O2S
  2163 2-Methyl-2-propenyl p-tolyl sulfoneC11H14O2S
  2164 3-Butenyl p-tolyl sulfoneC11H14O2S
  2165 Diphenyl sulfoneC12H10O2S
  2166 CysteineC3H7NO2S
  2167 Methionine C5H11NO2S
  2168 Sulfur trioxide (Geo)O3S
  2169 Sulfur trioxideO3S
  2170 HOSO2(-)HO3S
  2171 H2SO3H2O3S
  2172 Dimethyl sulfiteC2H6O3S
  2173 Dimethyl sulfite (Geo)C2H6O3S
  2174 (CH3O)(C2H5O)SOC3H8O3S
  2175 Diethyl sulfiteC4H10O3S
  2176 Dipropyl sulfiteC6H14O3S
  2177 Di-n-butyl sulfiteC8H18O3S


DHf: -98.8 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
Methionine
 H=-98.83 HR=NIST
  C     0.00000000  0    0.0000000  0    0.0000000  0     0     0     0
  S     1.82021778  1    0.0000000  0    0.0000000  0     1     0     0
  C     1.83936543  1  101.5432191  1    0.0000000  0     2     1     0
  C     1.52436871  1  109.0427942  1  175.5081100  1     3     2     1
  C     1.54556533  1  109.5423223  1 -179.1324830  1     4     3     2
  C     1.52692860  1  107.8508923  1 -173.5976967  1     5     4     3
  O     1.20176075  1  127.4585355  1 -107.1382948  1     6     5     4
  O     1.35271023  1  110.8054182  1   73.5899611  1     6     5     4
  N     1.46634773  1  110.7829760  1   64.5906886  1     5     4     3
  H     1.09762594  1  108.0623964  1  179.7361451  1     1     2     3
  H     1.09404348  1  112.0883360  1   60.9077572  1     1     2     3
  H     1.09453650  1  112.0239174  1  -61.4954168  1     1     2     3
  H     1.10867816  1  110.1286663  1   54.1920935  1     3     2     1
  H     1.10436746  1  109.7111724  1  -62.6065126  1     3     2     1
  H     1.11201616  1  111.0609201  1   60.3999309  1     4     3     2
  H     1.10977781  1  111.0995926  1  -57.4970439  1     4     3     2
  H     1.12540810  1  109.8715260  1  -54.8735972  1     5     4     3
  H     0.98994021  1  114.0784617  1 -179.7526693  1     8     6     5
  H     1.00941482  1  112.5065622  1  176.4180827  1     9     5     4
  H     1.01000452  1  112.4602913  1   53.1516494  1     9     5     4