PM7 Accuracy Date:Mon Feb 11 04:20:05 2019

diphenyl oxalate   1407 Diphenyl oxalate

(Previous)     (Back)     (Next)        

   

    #  Species Formula
  1397 Be(II)O4 (ACACBE02) (Geo)H14BeC10O4
  1398 Be(II)O4 (ACACBE02)H14BeC10O4
  1399 Benzal diacetateC11H12O4
  1400 1-Butoxy-1-tert-butyldioxy-2-propanolC11H24O4
  1401 1,1-Ethanediol, 2-phenyl-, diacetateC12H14O4
  1402 Benzyl diacetateC12H14O4
  1403 Be(II)O4(2-) (YAMBOD) (Geo)H8BeC12O4
  1404 Be(II)O4(2-) (YAMBOD)H8BeC12O4
  1405 1,4,9,10-AnthracenetetroneC14H6O4
  1406 1,4-Dihydroxy-9,10-anthracenedioneC14H8O4
  1407 Diphenyl oxalate C14H10O4
  1408 Dimethyl naphthalene-2,6-dicarboxylateC14H12O4
  1409 Li(I)2(Cp)2O4 (DANPOX) (Geo)C16H26Li2O4
  1410 Li(I)2(Cp)2O4 (DANPOX)C16H26Li2O4
  1411 p-Diacetylbenzene diethyl ketalC18H30O4
  1412 Aspartic acidC4H7NO4
  1413 Glutamic acidC5H9NO4
  1414 4-NitrocatecholC6H5NO4
  1415 p-Nitrobenzoic acidC7H5NO4
  1416 Dinitrogen tetroxideN2O4
  1417 Dinitrogen tetroxide (Geo)N2O4


ΔHf: -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