PM7 Accuracy

glutamine   1355 Glutamine

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    #  Species Formula
  1345 ThreonineC4H9NO3
  1346 m-NitrophenolC6H5NO3
  1347 o-NitrophenolC6H5NO3
  1348 p-NitrophenolC6H5NO3
  1349 TyrosineC9H11NO3
  1350 Dinitrogen trioxideN2O3
  1351 Dinitrogen trioxide (Geo)N2O3
  1352 Barbituric acidC4H4N2O3
  1353 AsparagineC4H8N2O3
  1354 GLY-GLYC4H8N2O3
  1355 Glutamine C5H10N2O3
  1356 ALA-ALAC6H12N2O3
  1357 8-Hydroxy-5-nitroquinolineC9H6N2O3
  1358 Pro-pro (Geo)C10H16N2O3
  1359 PRO-PROC10H16N2O3
  1360 Val-val (Geo)C10H20N2O3
  1361 VAL-VALC10H20N2O3
  1362 Ile-ile (Geo)C12H24N2O3
  1363 ILE-ILEC12H24N2O3
  1364 LEU-LEUC12H24N2O3
  1365 Naphthoquinone dye (Torsion angle) (Geo)C21H20N2O3


DHf: -142.4 kcal/mol,     REF: Estimated from DGauss results of DFT calculations, using the B88-PW91 functional and the DZVP basis set, in CAChe 6.0, Fujitsu Ltd, 2003.
  
 PM7
Glutamine
 HR=PW91D H=-142.4
  H     0.14757376  1  -0.16271377  1   0.15795570  1
  N     1.11144631  1  -0.06850570  1  -0.12149688  1
  C     1.54211733  1   1.33507392  1  -0.15647765  1
  C     2.97867964  1   1.33040963  1  -0.64641448  1
  O     3.59292996  1   2.20961181  1  -1.18898519  1
  C     1.47957686  1   2.05410674  1   1.20478658  1
  C     1.84164916  1   3.53418653  1   1.08507431  1
  C     1.79627480  1   4.16521698  1   2.45781941  1
  N     2.31122926  1   5.44430277  1   2.56408503  1
  O     1.33176116  1   3.62033855  1   3.43719729  1
  H     1.68728255  1  -0.64791294  1   0.47177977  1
  H     2.14324038  1   1.55651775  1   1.94273322  1
  H     1.13788339  1   4.05906300  1   0.40664575  1
  H     2.31581605  1   5.90628166  1   3.45182300  1
  H     2.73021531  1   5.92649417  1   1.80238604  1
  H     2.84550460  1   3.65647545  1   0.62283079  1
  H     0.46006861  1   1.95419074  1   1.63617484  1
  H     0.90417469  1   1.87432615  1  -0.91166389  1
  O     3.54100159  1   0.13896612  1  -0.34639973  1
  H     4.47541050  1   0.04650721  1  -0.66043347  1