Accuracy

dimethyl naphthalene-2,6-dicarboxylate   1406 Dimethyl naphthalene-2,6-dicarboxylate

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    #  Species Formula
  1396 Be(II)O4 (ACACBE02)H14BeC10O4
  1397 Benzal diacetateC11H12O4
  1398 1-Butoxy-1-tert-butyldioxy-2-propanolC11H24O4
  1399 1,1-Ethanediol, 2-phenyl-, diacetateC12H14O4
  1400 Benzyl diacetateC12H14O4
  1401 Be(II)O4(2-) (YAMBOD) (Geo)H8BeC12O4
  1402 Be(II)O4(2-) (YAMBOD)H8BeC12O4
  1403 1,4,9,10-AnthracenetetroneC14H6O4
  1404 1,4-Dihydroxy-9,10-anthracenedioneC14H8O4
  1405 Diphenyl oxalateC14H10O4
  1406 Dimethyl naphthalene-2,6-dicarboxylate C14H12O4
  1407 Li(I)2(Cp)2O4 (DANPOX) (Geo)C16H26Li2O4
  1408 Li(I)2(Cp)2O4 (DANPOX)C16H26Li2O4
  1409 p-Diacetylbenzene diethyl ketalC18H30O4
  1410 Aspartic acidC4H7NO4
  1411 Glutamic acidC5H9NO4
  1412 4-NitrocatecholC6H5NO4
  1413 p-Nitrobenzoic acidC7H5NO4
  1414 Dinitrogen tetroxideN2O4
  1415 Dinitrogen tetroxide (Geo)N2O4
  1416 DinitromethaneCH2N2O4


ΔHf: -132.7 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
Dimethyl naphthalene-2,6-dicarboxylate
 H=-132.7 HR=NIST
  C     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  C     1.36954551 +1    0.0000000 +0    0.0000000 +0     1     0     0
  C     1.42025615 +1  119.8907394 +1    0.0000000 +0     2     1     0
  C     1.37297814 +1  120.9914096 +1    0.0011636 +1     3     2     1
  C     1.42235039 +1  119.9178337 +1    0.0157037 +1     4     3     2
  C     1.41261611 +1  119.2095452 +1    0.0389918 +1     5     4     3
  C     1.42227529 +1  119.2285269 +1  179.9351427 +1     6     5     4
  C     1.37290933 +1  119.9169539 +1   -0.0078725 +1     7     6     5
  C     1.42014803 +1  120.9720359 +1    0.0594863 +1     8     7     6
  C     1.36950449 +1  119.9217578 +1   -0.0894597 +1     9     8     7
  C     1.47617156 +1  122.0570386 +1  179.9134465 +1     8     7     9
  O     1.20486817 +1  127.0705501 +1 -177.8221761 +1    11     8     7
  O     1.35996938 +1  110.8218430 +1 -179.9336157 +1    11     8    12
  C     1.42448146 +1  115.7592789 +1 -179.9018818 +1    13    11     8
  C     1.47620082 +1  116.9076361 +1 -179.9469706 +1     3     2     4
  O     1.20493613 +1  126.9946913 +1    1.9798644 +1    15     3     2
  O     1.35990157 +1  110.8724879 +1 -179.9343770 +1    15     3    16
  C     1.42454745 +1  115.7453788 +1 -179.8525410 +1    17    15     3
  H     1.08980836 +1  120.7843697 +1  179.9813078 +1     1     2     3
  H     1.09389835 +1  121.4595153 +1 -179.9342801 +1     2     1     3
  H     1.09297878 +1  121.1222497 +1 -179.9849032 +1     4     3     5
  H     1.09293575 +1  118.9447582 +1 -179.9695643 +1     7     6     8
  H     1.09390440 +1  118.6200657 +1  179.9673212 +1     9     8    10
  H     1.08980143 +1  120.8072427 +1 -179.9865544 +1    10     9     8
  H     1.09548211 +1  110.1924808 +1  -61.0359679 +1    14    13    11
  H     1.09534440 +1  110.2229054 +1  122.0118436 +1    14    13    25
  H     1.09593053 +1  102.9296972 +1  119.0234681 +1    14    13    26
  H     1.09553366 +1  110.2871133 +1  -59.7393994 +1    18    17    15
  H     1.09532840 +1  110.1129668 +1  121.9823056 +1    18    17    28
  H     1.09591537 +1  102.9408843 +1  118.9995375 +1    18    17    29