PM7 Accuracy

2-(diacetoxymethyl)-5-nitrofuran   1460 2-(Diacetoxymethyl)-5-nitrofuran

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    #  Species Formula
  1450 Li(I)O6(+) (COLGEP) (Geo)H30LiC12O6
  1451 Li(I)O6(+) (COLGEP)H30LiC12O6
  1452 Li(I)O6(+) (LOLNOP01) (Geo)H30LiC12O6
  1453 Li(I)O6(+) (LOLNOP01)H30LiC12O6
  1454 Li(I)O4 (FECWIT) (Geo)H10LiC6NO6
  1455 Li(I)O4 (FECWIT)H10LiC6NO6
  1456 Trinitromethane (Geo)HCN3O6
  1457 TrinitromethaneHCN3O6
  1458 1,1,1-TrinitroethaneC2H3N3O6
  1459 2,4,6-TrinitrotolueneC7H5N3O6
  1460 2-(Diacetoxymethyl)-5-nitrofuran C9H9NO7
  1461 ASP-ASPC8H11N2O7
  1462 2,4,6-TrinitroanisoleC7H5N3O7
  1463 2,4,6-TrinitrophenetoleC8H7N3O7
  1464 Be(II)O4(2-) (MALBEK) (Geo)H4BeC6O8
  1465 Be(II)O4(2-) (MALBEK)H4BeC6O8
  1466 TetraethylpyromellitateC18H22O8
  1467 Tetrapropyl 1,2,4,5-benzene tetracarboxylateC22H30O8
  1468 Beryllium (EDTA) (Geo)H12BeC10N2O8
  1469 Beryllium (EDTA)H12BeC10N2O8
  1470 TetranitromethaneCN4O8


DHf: -184.4 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
2-(Diacetoxymethyl)-5-nitrofuran
 H=-184.4 HR=NIST
  O     0.00000000  0    0.0000000  0    0.0000000  0     0     0     0
  C     1.38781320  1    0.0000000  0    0.0000000  0     1     0     0
  C     1.37776526  1  111.5877196  1    0.0000000  0     2     1     0
  C     1.43026300  1  105.7165489  1   -0.0472371  1     3     2     1
  C     1.37456479  1  104.7499139  1    0.0818262  1     1     2     3
  C     1.48955780  1  114.8394736  1 -179.7222464  1     5     1     2
  O     1.40465183  1  106.9091054  1   49.9965691  1     6     5     1
  C     1.38438788  1  117.8412637  1  139.1100897  1     7     6     5
  C     1.48209341  1  108.6152410  1  163.9123783  1     8     7     6
  O     1.19781908  1  121.0174603  1  177.1303263  1     8     7     9
  O     1.42210910  1  104.3831660  1 -114.5132497  1     6     5     7
  C     1.36455553  1  119.2588402  1  160.7170318  1    11     6     5
  O     1.20083332  1  122.7336363  1    4.1196972  1    12    11     6
  C     1.48724526  1  108.7205300  1  179.5897706  1    12    11    13
  N     1.42769171  1  115.5609601  1 -179.8639681  1     2     1     3
  O     1.21794421  1  118.6788398  1    0.2475345  1    15     2     1
  O     1.22215112  1  116.7911201  1  179.9104496  1    15     2    16
  H     1.07604546  1  127.6273033  1  179.9695362  1     3     2     4
  H     1.07247294  1  125.8111311  1  179.8985018  1     4     3     2
  H     1.11634684  1  114.6880085  1 -119.1403267  1     6     5    11
  H     1.10139560  1  111.2188224  1  141.7170408  1     9     8     7
  H     1.10331439  1  112.7206829  1 -121.8789241  1     9     8    21
  H     1.10677426  1  109.6466126  1 -119.0235485  1     9     8    22
  H     1.10271745  1  112.9381184  1   -5.7278663  1    14    12    11
  H     1.10363983  1  110.3311279  1  120.0761474  1    14    12    24
  H     1.10230616  1  110.6737806  1  118.6899551  1    14    12    25