Accuracy

2-isopropyl-6-methyl-pyrocatechol   1181 2-Isopropyl-6-methyl-pyrocatechol

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    #  Species Formula
  1171 2,3,4-Trimethylbenzoic acidC10H12O2
  1172 2,3,5-Trimethylbenzoic acidC10H12O2
  1173 2,3,6-Trimethylbenzoic acidC10H12O2
  1174 2,4,5-Trimethylbenzoic acidC10H12O2
  1175 2,4,6-Trimethylbenzoic acidC10H12O2
  1176 2-Isopropyl benzoic acidC10H12O2
  1177 2-Methyl-2-phenyl-1,3-dioxolaneC10H12O2
  1178 3,4,5-Trimethylbenzoic acidC10H12O2
  1179 3-Isopropyl benzoic acidC10H12O2
  1180 4-Isopropyl benzoic acidC10H12O2
  1181 2-Isopropyl-6-methyl-pyrocatechol C10H14O2
  1182 Cyclohexyl butanoateC10H18O2
  1183 Ethyl octanoateC10H20O2
  1184 1,10-DecanediolC10H22O2
  1185 1-Naphthoic acidC11H8O2
  1186 Isonaphthoic acidC11H8O2
  1187 2,3,4,5-Tetramethylbenzoic acidC11H14O2
  1188 2,3,4,6-Tetramethylbenzoic acidC11H14O2
  1189 2,3,5,6-Tetramethylbenzoic acidC11H14O2
  1190 p-tert-Butyl benzoic acidC11H14O2
  1191 Oxacyclododecan-2-oneC11H20O2


ΔHf: -90.6 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
2-Isopropyl-6-methyl-pyrocatechol
 H=-90.61 HR=NIST
  C    -0.02128579 +1   0.02374162 +1  -0.06775835 +1
  C     1.32558420 +1   0.05142076 +1  -0.44052898 +1
  C     2.06698686 +1   1.22758594 +1  -0.37887907 +1
  C     1.49020423 +1   2.42192486 +1   0.05853252 +1
  C     0.14288102 +1   2.40579395 +1   0.43191937 +1
  C    -0.60100126 +1   1.21657201 +1   0.36410383 +1
  C    -0.82736790 +1  -1.24381792 +1  -0.13562751 +1
  C    -0.99011233 +1  -1.68575548 +1  -1.59613699 +1
  C    -0.16885477 +1  -2.35070909 +1   0.69825762 +1
  C     2.26086136 +1   3.69067616 +1   0.13306884 +1
  O    -1.90709843 +1   1.34564979 +1   0.74107280 +1
  O    -0.39418805 +1   3.58032843 +1   0.85537369 +1
  H     1.80279484 +1  -0.86424412 +1  -0.78615664 +1
  H     3.11392129 +1   1.21847056 +1  -0.67568342 +1
  H    -1.85420306 +1  -1.06849428 +1   0.28604062 +1
  H    -1.44218903 +1  -0.89223560 +1  -2.20286689 +1
  H    -0.02432537 +1  -1.93058084 +1  -2.05234832 +1
  H    -1.62699498 +1  -2.57291055 +1  -1.67468966 +1
  H     0.79773254 +1  -2.65268158 +1   0.27994906 +1
  H     0.01290045 +1  -2.01788929 +1   1.72696539 +1
  H    -0.80118949 +1  -3.24383584 +1   0.74075570 +1
  H     2.20984781 +1   4.12787256 +1   1.14385950 +1
  H     1.84153219 +1   4.44667337 +1  -0.55093611 +1
  H     3.31983115 +1   3.56280673 +1  -0.12066847 +1
  H    -2.36459912 +1   0.46571591 +1   0.76807616 +1
  H    -1.34805338 +1   3.45616281 +1   1.10609424 +1