PM7 Accuracy

dimethyl isophthalate   1395 Dimethyl isophthalate

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    #  Species Formula
  1385 Methylene diacetateC5H8O4
  1386 TetramethoxymethaneC5H12O4
  1387 1,1-DiacetoxyethaneC6H10O4
  1388 Dimethyl methylmalonateC6H10O4
  1389 2,2-DiacetoxypropaneC7H12O4
  1390 Diethyl malonateC7H12O4
  1391 Dimethyl dimethylmalonateC7H12O4
  1392 3,5,7,9-TetraoxyundecaneC7H16O4
  1393 12-Crown-4C8H16O4
  1394 5,8-Dihydroxy-1,4-naphthalenedioneC10H6O4
  1395 Dimethyl isophthalate C10H10O4
  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


DHf: -150.4 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 isophthalate
 H=-150.4 HR=NIST
  C     0.00000000  0    0.0000000  0    0.0000000  0     0     0     0
  C     1.39416776  1    0.0000000  0    0.0000000  0     1     0     0
  C     1.39873955  1  120.5168033  1    0.0000000  0     2     1     0
  C     1.39260876  1  119.8937303  1    0.0345117  1     3     2     1
  C     1.39360007  1  120.0296738  1   -0.0174811  1     4     3     2
  C     1.39681974  1  119.8079194  1   -0.0048906  1     5     4     3
  C     1.47343924  1  121.6428625  1 -179.9435712  1     6     5     4
  O     1.20492650  1  127.0426721  1  179.6535177  1     7     6     5
  O     1.36065251  1  110.8539819  1  179.9896545  1     7     6     8
  C     1.42442493  1  115.7062980  1  179.9150444  1     9     7     6
  C     1.47410122  1  121.6994521  1 -179.9885971  1     2     1     3
  O     1.20577431  1  126.7372139  1  179.6843376  1    11     2     1
  O     1.35781094  1  110.8967887  1  179.9792279  1    11     2    12
  C     1.42461477  1  115.8662889  1  179.9485862  1    13    11     2
  H     1.09814069  1  120.9015620  1  179.9877117  1     1     2     3
  H     1.09513543  1  119.5747769  1  179.9947218  1     3     2     4
  H     1.08915274  1  119.9789741  1 -179.9926275  1     4     3     5
  H     1.09344721  1  120.0910452  1 -179.9868032  1     5     4     6
  H     1.09548767  1  110.1478202  1   61.5516592  1    10     9     7
  H     1.09543450  1  110.2351800  1 -122.0426866  1    10     9    19
  H     1.09591196  1  102.9376472  1 -119.0074793  1    10     9    20
  H     1.09520556  1  110.1942178  1   61.6029944  1    14    13    11
  H     1.09516606  1  110.2831774  1 -122.1172202  1    14    13    22
  H     1.09655288  1  102.7715444  1 -118.9708351  1    14    13    23