PM7 Accuracy

pentamethylbenzoic acid   1199 Pentamethylbenzoic acid

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    #  Species Formula
  1189 1-Naphthoic acidC11H8O2
  1190 Isonaphthoic acidC11H8O2
  1191 2,3,4,5-Tetramethylbenzoic acidC11H14O2
  1192 2,3,4,6-Tetramethylbenzoic acidC11H14O2
  1193 2,3,5,6-Tetramethylbenzoic acidC11H14O2
  1194 p-tert-Butyl benzoic acidC11H14O2
  1195 Oxacyclododecan-2-oneC11H20O2
  1196 Ethyl nonanoateC11H22O2
  1197 1,1-DibutoxypropaneC11H24O2
  1198 5,5-Dimethyl-2-phenyl-1,3-dioxaneC12H16O2
  1199 Pentamethylbenzoic acid C12H16O2
  1200 2,2,6,6-Tetramethyl-3,5-heptanedioneC12H22O2
  1201 Ethyl decanoateC12H24O2
  1202 XanthoneC13H8O2
  1203 Phenyl benzoateC13H10O2
  1204 9,10-AnthroquinoneC14H8O2
  1205 9,10-PhenanthroquinoneC14H8O2
  1206 Nitrogen dioxide, cationNO2
  1207 Nitrogen dioxideNO2
  1208 Nitrogen dioxide (Geo)NO2
  1209 Nitrous acid (cis) (Geo)HNO2


DHf: -101.1 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
Pentamethylbenzoic acid
 H=-101.1 HR=NIST
  C     0.00000000  0    0.0000000  0    0.0000000  0     0     0     0
  C     1.40101264  1    0.0000000  0    0.0000000  0     1     0     0
  C     1.39638489  1  118.8488797  1    0.0000000  0     2     1     0
  C     1.40881070  1  119.8267026  1   -0.4121878  1     3     2     1
  C     1.39901913  1  120.7059119  1    0.2693182  1     4     3     2
  C     1.39325315  1  121.9216438  1   -0.0977865  1     1     2     3
  C     1.47383811  1  118.4313703  1 -179.3853903  1     1     2     3
  O     1.20364883  1  129.3206808  1   84.5360839  1     7     1     2
  O     1.36215073  1  110.7102109  1  -95.1972399  1     7     1     2
  C     1.49221390  1  117.6710383  1 -179.9859363  1     2     1     3
  C     1.49369263  1  121.4010763  1  179.4659119  1     3     2     1
  C     1.49483201  1  117.8114180  1 -179.7953189  1     4     3     2
  C     1.49388904  1  122.2249181  1 -178.8116736  1     5     4     3
  C     1.49227389  1  119.4869665  1  179.7026040  1     6     1     2
  H     0.98786325  1  113.4173428  1  179.7551237  1     9     7     1
  H     1.10193629  1  111.0726105  1   58.6757402  1    10     2     1
  H     1.10337948  1  110.9404150  1  -60.7139224  1    10     2     1
  H     1.09759787  1  113.8269753  1  179.0094353  1    10     2     1
  H     1.10006875  1  111.3668801  1  122.6398124  1    11     3     2
  H     1.10041386  1  111.0946459  1 -117.4073756  1    11     3     2
  H     1.09854450  1  113.4582111  1    2.6380299  1    11     3     2
  H     1.10070654  1  111.0575200  1  -59.7354165  1    12     4     3
  H     1.10050371  1  111.1436592  1   59.9249591  1    12     4     3
  H     1.09817898  1  113.7597279  1 -179.8424811  1    12     4     3
  H     1.10068520  1  110.9717220  1  121.3261421  1    13     5     4
  H     1.10062197  1  111.2300269  1 -118.6944646  1    13     5     4
  H     1.09794482  1  113.6890042  1    1.3861729  1    13     5     4
  H     1.09847121  1  112.8438634  1  148.8178868  1    14     6     1
  H     1.10204785  1  110.4190902  1  -90.9020462  1    14     6     1
  H     1.10060265  1  112.7127464  1   28.8828984  1    14     6     1