PM7 Accuracy

2-pyrrolidinone    937 2-Pyrrolidinone

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    #  Species Formula
   927 IsoxazoleC3H3NO
   928 OxaloneC3H3NO
   929 AcrylamineC3H5NO
   930 MethoxyacetonitrileC3H5NO
   931 DimethylformamideC3H7NO
   932 N-Methyl acetamideC3H7NO
   933 PropanamideC3H7NO
   934 DimethylaminomethanolC3H9NO
   935 3-Methyl isoxazoleC4H5NO
   936 5-Methyl isoxazoleC4H5NO
   937 2-Pyrrolidinone C4H7NO
   938 4,5-Dihydro-2-methyl oxazoleC4H7NO
   939 MethacrylamideC4H7NO
   940 2-Methyl propanamideC4H9NO
   941 ButanamideC4H9NO
   942 IsobutylamideC4H9NO
   943 N,N-dimethyl acetamideC4H9NO
   944 N,N-Diethyl-hydroxylamineC4H11NO
   945 2-PyridinolC5H5NO
   946 3-PyridinolC5H5NO
   947 4-PyridinolC5H5NO


DHf: -47.2 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-Pyrrolidinone
 H=-47.17 HR=NIST
  C     0.00000000  0    0.0000000  0    0.0000000  0     0     0     0
  C     1.53832747  1    0.0000000  0    0.0000000  0     1     0     0
  C     1.55296281  1  106.1418003  1    0.0000000  0     2     1     0
  N     1.46834745  1  105.2613275  1    0.2569598  1     3     2     1
  C     1.38183387  1  113.3716316  1   -0.1602277  1     4     3     2
  O     1.20815863  1  123.0053494  1 -179.9736384  1     5     4     3
  H     1.10476215  1  112.4434095  1 -120.4935088  1     1     2     3
  H     1.10484976  1  112.4205968  1 -119.5479692  1     1     2     7
  H     1.10177303  1  111.2675741  1 -120.8269164  1     2     1     3
  H     1.10184863  1  111.2647235  1 -118.3966109  1     2     1     9
  H     1.10979209  1  111.5241717  1 -119.6973284  1     3     2     4
  H     1.10966306  1  111.5407444  1 -120.5706428  1     3     2    11
  H     0.99689325  1  121.6886113  1 -179.8879768  1     4     3     5