PM7 Accuracy

1,4,9,10-anthracenetetrone   1406 1,4,9,10-Anthracenetetrone

(Previous)     (Back)     (Next)         Geometry predicted using PM7

   

    #  Species Formula
  1396 Dimethyl phthalateC10H10O4
  1397 1-(tert-Butyldioxy)-3-propoxy-2-propanolC10H22O4
  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-Anthracenetetrone C14H6O4
  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 ketalC18H30O4
  1413 Aspartic acidC4H7NO4
  1414 Glutamic acidC5H9NO4
  1415 4-NitrocatecholC6H5NO4
  1416 p-Nitrobenzoic acidC7H5NO4


DHf: -50.0 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
1,4,9,10-Anthracenetetrone
 H=-49.95 HR=NIST
  C     0.00000000  0    0.0000000  0    0.0000000  0     0     0     0
  C     1.39807399  1    0.0000000  0    0.0000000  0     1     0     0
  C     1.39135212  1  120.2244411  1    0.0000000  0     2     1     0
  C     1.39801891  1  120.2375450  1   -0.1297434  1     3     2     1
  C     1.39004180  1  119.5740318  1   -0.5007382  1     4     3     2
  C     1.40103978  1  120.1862307  1    0.5857902  1     5     4     3
  C     1.48391941  1  119.9013804  1  178.9544021  1     6     5     4
  C     1.49008529  1  114.7975757  1   22.6596011  1     7     6     5
  C     1.33963051  1  121.1614048  1  -23.0147941  1     8     7     6
  C     1.48405588  1  119.8944268  1  179.0076959  1     5     4     6
  C     1.49244866  1  118.5174242  1 -179.9014744  1     8     7     9
  C     1.48867464  1  114.4725236  1  155.7154001  1    11     8     7
  C     1.33511815  1  120.5111169  1   24.1752833  1    12    11     8
  C     1.49245047  1  120.3259015  1 -179.8336893  1     9     8     7
  O     1.20298375  1  122.9584007  1 -178.4014077  1     7     6     8
  O     1.20311590  1  122.8963863  1  -23.2479661  1    10     5     4
  O     1.20144746  1  122.7547905  1  177.5697737  1    11     8    12
  O     1.20149430  1  122.7397692  1 -153.4829861  1    14     9     8
  H     1.09305235  1  120.4570482  1 -179.2480915  1     1     2     3
  H     1.09011874  1  119.6702818  1  179.7963243  1     2     1     3
  H     1.09008338  1  120.1013405  1  179.8244506  1     3     2     4
  H     1.09309232  1  120.4603601  1  179.6963117  1     4     3     5
  H     1.09013924  1  115.5038924  1  178.6637348  1    12    11    13
  H     1.09018611  1  123.9330133  1  178.5607162  1    13    12    11