PM7 Accuracy

2,2-diacetoxypropane   1389 2,2-Diacetoxypropane

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    #  Species Formula
  1379 (C2H4)BO4H2, anion (Geo)H6BC2O4
  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-Diacetoxypropane C7H12O4
  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 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


DHf: -199.3 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
2,2-Diacetoxypropane
 HR=NIST H=-199.3
  C     0.00000000  0    0.0000000  0    0.0000000  0     0     0     0
  C     1.51402722  1    0.0000000  0    0.0000000  0     1     0     0
  C     1.51382097  1  117.0881004  1    0.0000000  0     2     1     0
  O     1.44138591  1  110.0573320  1  126.6470317  1     2     1     3
  C     1.35212772  1  120.0602884  1  -65.2696763  1     4     2     1
  O     1.20294983  1  123.6461313  1   -0.0718353  1     5     4     2
  C     1.49147450  1  108.7632681  1  179.9948598  1     5     4     6
  O     1.44128172  1  110.0623223  1  106.6426220  1     2     1     4
  C     1.35212922  1  120.1168235  1   64.9912299  1     8     2     1
  O     1.20321439  1  123.6617780  1    0.0667896  1     9     8     2
  C     1.49154567  1  108.7604810  1 -179.9873561  1     9     8    10
  H     1.10116472  1  111.2557700  1   59.3521347  1     1     2     3
  H     1.09678613  1  111.5204678  1  120.3345639  1     1     2    12
  H     1.10111589  1  111.2732637  1  120.3423100  1     1     2    13
  H     1.09692004  1  111.5001029  1  179.5720992  1     3     2     1
  H     1.10105737  1  111.2532380  1  120.3498196  1     3     2    15
  H     1.10115634  1  111.2344981  1  119.3461426  1     3     2    16
  H     1.10176780  1  111.3117716  1  -59.2682874  1     7     5     4
  H     1.10170231  1  111.3197648  1  118.7970201  1     7     5    18
  H     1.10080851  1  110.8492756  1  120.6213257  1     7     5    19
  H     1.10177369  1  111.3164395  1  -59.1262989  1    11     9     8
  H     1.10168541  1  111.3112760  1  118.8003796  1    11     9    21
  H     1.10078883  1  110.8526181  1  120.6134797  1    11     9    22