PM7 Accuracy

12-crown-4   1393 12-Crown-4

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    #  Species Formula
  1383 Dimethyl malonateC5H8O4
  1384 Ethylmalonic acidC5H8O4
  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-4 C8H16O4
  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
  1401 1-Butoxy-1-tert-butyldioxy-2-propanolC11H24O4
  1402 1,1-Ethanediol, 2-phenyl-, diacetateC12H14O4
  1403 Benzyl diacetateC12H14O4


DHf: -150.8 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
12-Crown-4
 H=-150.8 HR=NIST
  C     0.00000000  0    0.0000000  0    0.0000000  0     0     0     0
  C     1.53005651  1    0.0000000  0    0.0000000  0     1     0     0
  O     1.42246154  1  104.9534577  1    0.0000000  0     2     1     0
  C     1.42258760  1  113.0935127  1 -160.5432148  1     3     2     1
  C     1.53001245  1  104.9425697  1  160.6578128  1     4     3     2
  O     1.41369326  1  112.0410140  1 -105.3939731  1     5     4     3
  C     1.41775504  1  115.3498333  1   68.6347485  1     6     5     4
  C     1.53403218  1  108.5339559  1 -111.6215312  1     7     6     5
  O     1.41335853  1  112.0880742  1   96.3032611  1     8     7     6
  C     1.41330518  1  116.5143389  1   91.1452076  1     9     8     7
  C     1.53398867  1  112.2015652  1  -89.7277968  1    10     9     8
  O     1.41372029  1  112.0263800  1  106.0086803  1     1     2     3
  H     1.10595307  1  111.2974381  1  -18.0214372  1     1     2     3
  H     1.10679362  1  111.9307722  1 -140.7665881  1     1     2     3
  H     1.10678052  1  110.7923075  1  -14.0571635  1     2     1    12
  H     1.10294285  1  112.4345837  1 -137.0360323  1     2     1    12
  H     1.10678524  1  111.1624063  1   40.8404160  1     4     3     2
  H     1.10294800  1  107.8070612  1  -79.3048962  1     4     3     2
  H     1.10682639  1  111.9147702  1  141.3469256  1     5     4     3
  H     1.10598181  1  111.2797858  1   18.6034745  1     5     4     3
  H     1.10616178  1  103.3116192  1  129.8771353  1     7     6     5
  H     1.10361755  1  111.9508209  1   12.2073317  1     7     6     5
  H     1.11136085  1  110.1809908  1  -16.4430469  1     8     7     6
  H     1.10145947  1  111.8499215  1 -137.7824193  1     8     7     6
  H     1.11136644  1  101.8630594  1  152.4424599  1    10     9     8
  H     1.10150812  1  111.2783269  1   36.4904551  1    10     9     8
  H     1.10621576  1  111.5652690  1  149.5908578  1    11    10     9
  H     1.10354570  1  111.7662912  1   26.7109042  1    11    10     9