PM7 Accuracy Date:Mon Feb 11 04:20:05 2019

threonine   1344 Threonine

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    #  Species Formula
  1334 Benzoic acid, anhydrideC14H10O3
  1335 Nitrate radicalNO3
  1336 Nitrate anionNO3
  1337 Nitric acid (Geo)HNO3
  1338 Nitric acidHNO3
  1339 Methyl nitrateCH3NO3
  1340 Oxamic acidC2H3NO3
  1341 Ethyl nitrateC2H5NO3
  1342 SerineC3H7NO3
  1343 2-NitrofuranC4H3NO3
  1344 Threonine C4H9NO3
  1345 m-NitrophenolC6H5NO3
  1346 o-NitrophenolC6H5NO3
  1347 p-NitrophenolC6H5NO3
  1348 TyrosineC9H11NO3
  1349 Dinitrogen trioxideN2O3
  1350 Dinitrogen trioxide (Geo)N2O3
  1351 Barbituric acidC4H4N2O3
  1352 AsparagineC4H8N2O3
  1353 GLY-GLYC4H8N2O3
  1354 GlutamineC5H10N2O3


ΔHf: -140.5 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
Threonine
 HR=PW91D H=-140.5
  H     0.14834505 +1  -0.20215664 +1   0.67719714 +1
  N     1.08491597 +1  -0.15013517 +1   0.30149625 +1
  C     1.53844264 +1   1.24541128 +1   0.21073672 +1
  C     3.05001156 +1   1.34935879 +1   0.11490156 +1
  O     3.66105976 +1   2.34270348 +1  -0.18903507 +1
  C     1.09562269 +1   2.15110701 +1   1.40205565 +1
  O     1.39200392 +1   1.36289275 +1   2.53951583 +1
  C    -0.39308511 +1   2.47370293 +1   1.35589178 +1
  H     1.69078748 +1  -0.69812070 +1   0.90191883 +1
  H     1.71060972 +1   3.08056307 +1   1.44295087 +1
  H     1.14349579 +1   1.82500804 +1   3.36291811 +1
  H    -0.68068202 +1   2.94071574 +1   0.40598103 +1
  H    -1.00526853 +1   1.57096155 +1   1.47921520 +1
  H    -0.68100468 +1   3.16734690 +1   2.15548301 +1
  H     1.10870653 +1   1.66661394 +1  -0.74529794 +1
  O     3.69526414 +1   0.20405308 +1   0.42324006 +1
  H     4.68287780 +1   0.29239237 +1   0.38262535 +1