PM7 Accuracy

succinimide   1226 Succinimide

(Previous)     (Back)     (Next)         Geometry predicted using PM7

   

    #  Species Formula
  1216 GlycineC2H5NO2
  1217 Methyl carbamateC2H5NO2
  1218 NitroethaneC2H5NO2
  1219 AlanineC3H7NO2
  1220 beta-AlanineC3H7NO2
  1221 IsopropylnitriteC3H7NO2
  1222 N-MethylglycineC3H7NO2
  1223 Propyl nitriteC3H7NO2
  1224 UrethaneC3H7NO2
  1225 Methyl cyanoacetateC4H5NO2
  1226 Succinimide C4H5NO2
  1227 2-NitrobutaneC4H9NO2
  1228 2-NitroisobutaneC4H9NO2
  1229 4-Aminobutanoic acidC4H9NO2
  1230 Isobutyl nitriteC4H9NO2
  1231 n-Butyl nitriteC4H9NO2
  1232 Sec-butyl nitriteC4H9NO2
  1233 t-Butyl nitriteC4H9NO2
  1234 DiethanolamineC4H11NO2
  1235 N-MethylmaleimideC5H5NO2
  1236 GlutarimideC5H7NO2


DHf: -89.8 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
Succinimide
 H=-89.75 HR=NIST
  N     0.00000000  0    0.0000000  0    0.0000000  0     0     0     0
  C     1.41111502  1    0.0000000  0    0.0000000  0     1     0     0
  C     1.51812713  1  108.3448678  1    0.0000000  0     2     1     0
  C     1.53693417  1  105.4302845  1    0.0565588  1     3     2     1
  C     1.41109503  1  112.4247780  1   -0.0365780  1     1     2     3
  O     1.19952032  1  122.9885234  1  179.9852719  1     5     1     2
  O     1.19961378  1  123.0003737  1 -179.9993524  1     2     1     3
  H     1.00698846  1  123.7360788  1 -179.9842802  1     1     2     5
  H     1.10650865  1  110.3541222  1 -121.8492980  1     3     2     4
  H     1.10657234  1  110.3570420  1 -116.3162918  1     3     2     9
  H     1.10660040  1  112.5524323  1 -120.4933666  1     4     3     2
  H     1.10663541  1  112.5538836  1 -119.1734502  1     4     3    11