Accuracy

proline   1234 Proline

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    #  Species Formula
  1224 2-NitroisobutaneC4H9NO2
  1225 4-Aminobutanoic acidC4H9NO2
  1226 Isobutyl nitriteC4H9NO2
  1227 n-Butyl nitriteC4H9NO2
  1228 Sec-butyl nitriteC4H9NO2
  1229 t-Butyl nitriteC4H9NO2
  1230 DiethanolamineC4H11NO2
  1231 N-MethylmaleimideC5H5NO2
  1232 GlutarimideC5H7NO2
  1233 N-MethylsuccinimideC5H7NO2
  1234 Proline C5H9NO2
  1235 5-Aminovaleric acidC5H11NO2
  1236 N,N-Dimethylglycine methyl esterC5H11NO2
  1237 tert-Pentyl nitriteC5H11NO2
  1238 ValineC5H11NO2
  1239 1,1-Dimethoxy-trimethylamineC5H13NO2
  1240 NiacinC6H5NO2
  1241 NitrobenzeneC6H5NO2
  1242 ortho Nitroso-phenolC6H5NO2
  1243 Ethyl 2-cyanopropionateC6H9NO2
  1244 Ethyl N,N-dimethylglycinateC6H13NO2


ΔHf: -87.5 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
Proline
 H=-87.519 HR=NIST
  C    -0.01506410 +1  -0.00024235 +1  -0.03390821 +1
  C     1.51341141 +1  -0.01944802 +1   0.19256621 +1
  C    -0.43921529 +1   1.46103791 +1   0.20273724 +1
  C     0.87998726 +1   2.26640985 +1   0.30674541 +1
  N     2.01078848 +1   1.36455431 +1  -0.00851785 +1
  C     1.10652602 +1   2.71015649 +1   1.74551164 +1
  O     1.55881255 +1   3.99201226 +1   1.75006188 +1
  O     0.91646765 +1   2.11823397 +1   2.77140733 +1
  H    -0.52842267 +1  -0.68786211 +1   0.65670813 +1
  H    -0.27337980 +1  -0.33058601 +1  -1.05183950 +1
  H     2.03551389 +1  -0.73117036 +1  -0.46879564 +1
  H     1.75088814 +1  -0.30483542 +1   1.24292713 +1
  H    -1.04420221 +1   1.55160099 +1   1.12266441 +1
  H    -1.06935431 +1   1.83720947 +1  -0.61776344 +1
  H     0.87614741 +1   3.16003746 +1  -0.36460363 +1
  H     2.35038573 +1   1.51364561 +1  -0.95476136 +1
  H     1.77983610 +1   4.33624366 +1   2.64834405 +1