PM7 Accuracy

p-diacetylbenzene diethyl ketal   1412 p-Diacetylbenzene diethyl ketal

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    #  Species Formula
  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 oxalateC14H10O4
  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 ketal C18H30O4
  1413 Aspartic acidC4H7NO4
  1414 Glutamic acidC5H9NO4
  1415 4-NitrocatecholC6H5NO4
  1416 p-Nitrobenzoic acidC7H5NO4
  1417 Dinitrogen tetroxideN2O4
  1418 Dinitrogen tetroxide (Geo)N2O4
  1419 DinitromethaneCH2N2O4
  1420 m-DinitrobenzeneC6H4N2O4
  1421 o-DinitrobenzeneC6H4N2O4
  1422 p-DinitrobenzeneC6H4N2O4


DHf: -189.7 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
p-Diacetylbenzene diethyl ketal
 H=-189.7 HR=NIST
  C     0.00000000  0    0.0000000  0    0.0000000  0     0     0     0
  C     1.39306487  1    0.0000000  0    0.0000000  0     1     0     0
  C     1.39289753  1  119.5830532  1    0.0000000  0     2     1     0
  C     1.39541857  1  120.1331969  1    0.0562915  1     3     2     1
  C     1.39307743  1  120.2109301  1   -1.4043626  1     4     3     2
  C     1.39557609  1  120.3005637  1    1.1079720  1     1     2     3
  C     1.51680610  1  117.3109952  1 -179.3657564  1     4     3     5
  O     1.40759309  1  102.8916603  1   64.5170625  1     7     4     3
  C     1.42099945  1  117.0964933  1 -167.2843034  1     8     7     4
  C     1.52621963  1  108.3739551  1 -106.3632069  1     9     8     7
  O     1.42438097  1  110.3150720  1 -111.3104458  1     7     4     8
  C     1.41400663  1  117.2790113  1  -58.7735711  1    11     7     4
  C     1.52631778  1  109.3143817  1 -101.7791357  1    12    11     7
  C     1.52707503  1  116.2263210  1 -126.4071748  1     7     4    11
  C     1.51361064  1  121.3326514  1  179.0901116  1     1     2     6
  O     1.41077774  1  112.3398058  1  131.5760387  1    15     1     2
  C     1.42048151  1  116.7493241  1  -63.8283129  1    16    15     1
  C     1.52511482  1  109.0333168  1  106.8218110  1    17    16    15
  O     1.40921993  1  105.1418189  1 -119.3648907  1    15     1    16
  C     1.41755618  1  117.3631684  1  177.7862218  1    19    15     1
  C     1.52562216  1  108.7291033  1  104.7272060  1    20    19    15
  C     1.52895199  1  112.4310478  1 -123.4826614  1    15     1    19
  H     1.09110042  1  120.4051195  1  179.9478959  1     2     1     3
  H     1.09204394  1  120.5005085  1 -179.7465588  1     3     2     4
  H     1.08788605  1  120.8357157  1 -178.0301821  1     5     4     3
  H     1.09014485  1  119.7538616  1  179.5841536  1     6     1     2
  H     1.10169517  1  112.4673515  1  124.9959491  1     9     8    10
  H     1.10746495  1  102.3636269  1  116.6415317  1     9     8    27
  H     1.09411187  1  111.8399603  1   78.1047962  1    10     9     8
  H     1.09858533  1  110.4041716  1 -119.3204485  1    10     9    29
  H     1.09433061  1  111.2701820  1 -119.7612716  1    10     9    30
  H     1.10867085  1  102.2769779  1 -118.3069678  1    12    11    13
  H     1.10279922  1  112.1049077  1 -116.5659773  1    12    11    32
  H     1.09808864  1  110.3974777  1  -40.4991362  1    13    12    11
  H     1.09421391  1  111.9986755  1  119.2541201  1    13    12    34
  H     1.09438843  1  111.3044795  1  120.9940652  1    13    12    35
  H     1.09697989  1  110.4854699  1  -71.2738511  1    14     7     4
  H     1.09391355  1  111.9492449  1  121.2048601  1    14     7    37
  H     1.09742137  1  110.4514997  1  119.8035875  1    14     7    38
  H     1.10402133  1  111.5935799  1 -124.2203339  1    17    16    18
  H     1.10635402  1  102.7368370  1 -117.0865264  1    17    16    40
  H     1.09722420  1  110.6723495  1   43.3212167  1    18    17    16
  H     1.09709141  1  111.4114761  1 -119.1570501  1    18    17    42
  H     1.09385005  1  111.3098554  1 -120.6359340  1    18    17    43
  H     1.10743056  1  102.5735317  1  118.2993874  1    20    19    21
  H     1.10276219  1  111.7709693  1  116.8080448  1    20    19    45
  H     1.09827453  1  110.5557609  1   43.6974873  1    21    20    19
  H     1.09497063  1  111.8023360  1 -119.1214082  1    21    20    47
  H     1.09418467  1  111.3025845  1 -120.8681457  1    21    20    48
  H     1.09664047  1  111.0784620  1  -51.5046422  1    22    15     1
  H     1.09677254  1  110.2132892  1  119.9476847  1    22    15    50
  H     1.09633599  1  111.4104247  1  120.6488109  1    22    15    51