PM7 Accuracy

diethyl malonate   1390 Diethyl malonate

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    #  Species Formula
  1380 1,4-Dioxan-2,5-dioneC4H4O4
  1381 Dimethyl oxalateC4H6O4
  1382 1,3,5,7-TetroxaneC4H8O4
  1383 Dimethyl malonateC5H8O4
  1384 Ethylmalonic acidC5H8O4
  1385 Methylene diacetateC5H8O4
  1386 TetramethoxymethaneC5H12O4
  1387 1,1-DiacetoxyethaneC6H10O4
  1388 Dimethyl methylmalonateC6H10O4
  1389 2,2-DiacetoxypropaneC7H12O4
  1390 Diethyl malonate C7H12O4
  1391 Dimethyl dimethylmalonateC7H12O4
  1392 3,5,7,9-TetraoxyundecaneC7H16O4
  1393 12-Crown-4C8H16O4
  1394 5,8-Dihydroxy-1,4-naphthalenedioneC10H6O4
  1395 Dimethyl isophthalateC10H10O4
  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


DHf: -190.1 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
Diethyl malonate
 H=-190.1 HR=NIST
  C     0.00000000  0    0.0000000  0    0.0000000  0     0     0     0
  C     1.50291137  1    0.0000000  0    0.0000000  0     1     0     0
  C     1.50362435  1  109.7853155  1    0.0000000  0     2     1     0
  O     1.20207391  1  127.1681967  1   58.2910259  1     3     2     1
  O     1.20166256  1  127.3177809  1   52.6672643  1     1     2     3
  O     1.35120178  1  109.1814830  1  178.3410488  1     1     2     5
  C     1.43976219  1  116.0357667  1  179.3661235  1     6     1     2
  C     1.51881993  1  103.8645641  1  179.2987150  1     7     6     1
  O     1.35081285  1  109.2419463  1  178.4608588  1     3     2     4
  C     1.43984550  1  116.0575666  1  178.8327265  1     9     3     2
  C     1.51884691  1  103.8417776  1 -177.8502832  1    10     9     3
  H     1.11670242  1  111.4300204  1  121.1698781  1     2     1     3
  H     1.11700549  1  109.1749317  1  116.4825428  1     2     1    12
  H     1.10469770  1  108.2050654  1  120.4531452  1     7     6     8
  H     1.10379001  1  108.5549151  1  118.8435552  1     7     6    14
  H     1.09774858  1  111.4987298  1  -60.8510756  1     8     7     6
  H     1.09893057  1  111.2869116  1  119.2587402  1     8     7    16
  H     1.09612789  1  111.1124965  1  120.2559834  1     8     7    17
  H     1.10370933  1  108.3461698  1 -120.6611309  1    10     9    11
  H     1.10480647  1  108.4083555  1 -118.8598985  1    10     9    19
  H     1.09884693  1  111.2883233  1   59.7441785  1    11    10     9
  H     1.09783608  1  111.4720352  1 -119.2404761  1    11    10    21
  H     1.09610936  1  111.1206004  1 -120.4805015  1    11    10    22