Accuracy

2-pyrrolidinone    934 2-Pyrrolidinone

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


ΔHf: -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