PM7 Accuracy

methyl 2,2-dimethyl-propanoate   1113 Methyl 2,2-dimethyl-propanoate

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    #  Species Formula
  1103 2-OxepanoneC6H10O2
  1104 3-Methyl-2,4-pentandioneC6H10O2
  1105 Ethyl-(E)-2-butenoateC6H10O2
  1106 1,1-Dimethoxy-2-buteneC6H12O2
  1107 4-Hydroxy-4-methylpentan-2-oneC6H12O2
  1108 5,5-Dimethyl-1,3-dioxaneC6H12O2
  1109 cis-2,4-Dimethyl-1,3-dioxaneC6H12O2
  1110 Ethyl butanoateC6H12O2
  1111 Hexanoic acidC6H12O2
  1112 Methyl 2-methylbutanoateC6H12O2
  1113 Methyl 2,2-dimethyl-propanoate C6H12O2
  1114 Methyl 3-methylbutanoateC6H12O2
  1115 Methyl pentanoateC6H12O2
  1116 t-Butyl acetateC6H12O2
  1117 trans 4,5-Dimethyl-1,3-dioxaneC6H12O2
  1118 1,1-Diethoxy ethaneC6H14O2
  1119 1,1-Dimethoxy-butaneC6H14O2
  1120 1,2-Diethoxy ethaneC6H14O2
  1121 1,6-HexanediolC6H14O2
  1122 2,3-Dimethyl-2,3-butanediolC6H14O2
  1123 DihydoxyphenylboraneH7BC6O2


DHf: -118.2 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
Methyl 2,2-dimethyl-propanoate
 H=-118.16 HR=NIST
  C     0.00240238  1   0.01097442  1  -0.00037581  1
  C     1.53261821  1  -0.00617608  1   0.06048392  1
  C    -0.53032006  1   1.44551101  1   0.06438369  1
  C    -0.49133446  1  -0.68591464  1  -1.27072880  1
  C    -0.53295035  1  -0.75515948  1   1.20166768  1
  O    -0.12496318  1  -0.15701689  1   2.35259968  1
  C    -0.55273145  1  -0.77009450  1   3.56339536  1
  O    -1.21611907  1  -1.74458821  1   1.20571408  1
  H     1.90361210  1   0.44924920  1   0.98811091  1
  H     1.92900995  1  -1.02743766  1   0.01430207  1
  H     1.96631563  1   0.55303790  1  -0.77672972  1
  H    -0.20402031  1   1.95519096  1   0.98098201  1
  H    -1.62619253  1   1.47251073  1   0.04636832  1
  H    -0.17244845  1   2.03693567  1  -0.78639046  1
  H    -0.14945282  1  -1.72844179  1  -1.31693655  1
  H    -1.58788612  1  -0.71488751  1  -1.31408851  1
  H    -0.13227821  1  -0.17442339  1  -2.16983611  1
  H    -1.64617765  1  -0.76931095  1   3.62218890  1
  H    -0.17020474  1  -1.79483719  1   3.62481081  1
  H    -0.10921184  1  -0.13030190  1   4.33488616  1