PM7 Accuracy

diphenyl oxalate   1408 Diphenyl oxalate

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    #  Species Formula
  1398 Be(II)O4 (ACACBE02) (Geo)H14BeC10O4
  1399 Be(II)O4 (ACACBE02)H14BeC10O4
  1400 Benzal diacetateC11H12O4
  1401 1-Butoxy-1-tert-butyldioxy-2-propanolC11H24O4
  1402 1,1-Ethanediol, 2-phenyl-, diacetateC12H14O4
  1403 Benzyl diacetateC12H14O4
  1404 Be(II)O4(2-) (YAMBOD) (Geo)H8BeC12O4
  1405 Be(II)O4(2-) (YAMBOD)H8BeC12O4
  1406 1,4,9,10-AnthracenetetroneC14H6O4
  1407 1,4-Dihydroxy-9,10-anthracenedioneC14H8O4
  1408 Diphenyl oxalate C14H10O4
  1409 Dimethyl naphthalene-2,6-dicarboxylateC14H12O4
  1410 Li(I)2(Cp)2O4 (DANPOX) (Geo)C16H26Li2O4
  1411 Li(I)2(Cp)2O4 (DANPOX)C16H26Li2O4
  1412 p-Diacetylbenzene diethyl ketalC18H30O4
  1413 Aspartic acidC4H7NO4
  1414 Glutamic acidC5H9NO4
  1415 4-NitrocatecholC6H5NO4
  1416 p-Nitrobenzoic acidC7H5NO4
  1417 Dinitrogen tetroxideN2O4
  1418 Dinitrogen tetroxide (Geo)N2O4


DHf: -104.5 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
Diphenyl oxalate
 H=-104.5 HR=NIST
  C     0.00000000  0    0.0000000  0    0.0000000  0     0     0     0
  C     1.39538843  1    0.0000000  0    0.0000000  0     1     0     0
  C     1.39553647  1  120.5717790  1    0.0000000  0     2     1     0
  C     1.39345095  1  120.2496557  1   -0.0862451  1     3     2     1
  C     1.39150603  1  117.7277704  1    0.1983159  1     4     3     2
  C     1.39151624  1  123.4642259  1   -0.3607804  1     5     4     3
  O     1.39047455  1  118.3973828  1  174.1436083  1     5     4     6
  C     1.35480856  1  117.3996931  1   89.5910448  1     7     5     4
  C     1.52674462  1  107.1356935  1  178.5980634  1     8     7     5
  O     1.35479550  1  107.2597830  1   88.5938550  1     9     8     7
  C     1.39073887  1  117.2983730  1  178.5685045  1    10     9     8
  C     1.39156429  1  117.7428210  1  -97.9320390  1    11    10     9
  C     1.39344855  1  117.6937146  1 -173.9179873  1    12    11    10
  C     1.39542976  1  120.2675991  1   -0.2500586  1    13    12    11
  C     1.39548550  1  120.5916553  1    0.0642780  1    14    13    12
  C     1.39341541  1  120.2586526  1   -0.0256063  1    15    14    13
  O     1.19293708  1  126.2718825  1  178.7063359  1     9     8    10
  O     1.19284052  1  126.4560158  1 -178.6331503  1     8     7     9
  H     1.08937450  1  119.9298688  1  179.9249238  1     1     2     3
  H     1.08875896  1  119.7085860  1 -179.8925395  1     2     1     3
  H     1.08929353  1  119.9620199  1 -179.8582982  1     3     2     4
  H     1.08755158  1  121.4871004  1  179.8810402  1     4     3     5
  H     1.08752393  1  120.7863391  1 -179.8176041  1     6     5     4
  H     1.08752755  1  120.7812098  1  179.7986237  1    12    11    13
  H     1.08934653  1  119.7765733  1 -179.8237515  1    13    12    14
  H     1.08879398  1  119.7059458  1 -179.8464446  1    14    13    15
  H     1.08932216  1  119.9559855  1 -179.8250484  1    15    14    16
  H     1.08752424  1  121.5057824  1 -179.8292934  1    16    15    14