PM7 Accuracy Date:Mon Feb 11 04:20:05 2019

methyl 2,2-dimethyl-propanoate   1111 Methyl 2,2-dimethyl-propanoate

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    #  Species Formula
  1101 2-OxepanoneC6H10O2
  1102 3-Methyl-2,4-pentandioneC6H10O2
  1103 Ethyl-(E)-2-butenoateC6H10O2
  1104 1,1-Dimethoxy-2-buteneC6H12O2
  1105 4-Hydroxy-4-methylpentan-2-oneC6H12O2
  1106 5,5-Dimethyl-1,3-dioxaneC6H12O2
  1107 cis-2,4-Dimethyl-1,3-dioxaneC6H12O2
  1108 Ethyl butanoateC6H12O2
  1109 Hexanoic acidC6H12O2
  1110 Methyl 2-methylbutanoateC6H12O2
  1111 Methyl 2,2-dimethyl-propanoate C6H12O2
  1112 Methyl 3-methylbutanoateC6H12O2
  1113 Methyl pentanoateC6H12O2
  1114 t-Butyl acetateC6H12O2
  1115 trans 4,5-Dimethyl-1,3-dioxaneC6H12O2
  1116 1,1-Diethoxy ethaneC6H14O2
  1117 1,1-Dimethoxy-butaneC6H14O2
  1118 1,2-Diethoxy ethaneC6H14O2
  1119 1,6-HexanediolC6H14O2
  1120 2,3-Dimethyl-2,3-butanediolC6H14O2
  1121 DihydoxyphenylboraneH7BC6O2


ΔHf: -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