PM7 Accuracy

5-aminovaleric acid   1239 5-Aminovaleric acid

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    #  Species Formula
  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
  1237 N-MethylsuccinimideC5H7NO2
  1238 ProlineC5H9NO2
  1239 5-Aminovaleric acid C5H11NO2
  1240 N,N-Dimethylglycine methyl esterC5H11NO2
  1241 tert-Pentyl nitriteC5H11NO2
  1242 ValineC5H11NO2
  1243 1,1-Dimethoxy-trimethylamineC5H13NO2
  1244 NiacinC6H5NO2
  1245 NitrobenzeneC6H5NO2
  1246 ortho Nitroso-phenolC6H5NO2
  1247 Ethyl 2-cyanopropionateC6H9NO2
  1248 Ethyl N,N-dimethylglycinateC6H13NO2
  1249 Hexanoic acid, 6-amino-C6H13NO2


DHf: -110.0 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
5-Aminovaleric acid
 H=-109.98 HR=NIST
  N     0.00000000  0    0.0000000  0    0.0000000  0     0     0     0
  C     1.48062770  1    0.0000000  0    0.0000000  0     1     0     0
  C     1.53945436  1  108.8900922  1    0.0000000  0     2     1     0
  C     1.52993786  1  110.2100354  1 -175.9547155  1     3     2     1
  C     1.53107104  1  110.5586909  1  179.1595166  1     4     3     2
  C     1.49352413  1  110.1744869  1  179.1633936  1     5     4     3
  O     1.36127392  1  110.0305656  1  178.6990910  1     6     5     4
  O     1.20189560  1  129.5371653  1  179.9553623  1     6     5     7
  H     1.00600240  1  112.0048600  1  -60.1036768  1     1     2     3
  H     1.00621677  1  111.8211849  1 -122.5554310  1     1     2     9
  H     1.11320649  1  107.6157701  1 -119.1675201  1     2     1     3
  H     1.11055281  1  112.9059985  1 -117.9719984  1     2     1    11
  H     1.10871031  1  109.1173796  1  121.8380316  1     3     2     4
  H     1.10503720  1  110.2446091  1  115.6786717  1     3     2    13
  H     1.10913583  1  110.4221464  1 -121.9235633  1     4     3     5
  H     1.10884076  1  110.5551008  1 -115.9358950  1     4     3    15
  H     1.11230123  1  110.9486290  1  121.9500702  1     5     4     6
  H     1.11214147  1  111.0191985  1  116.2163519  1     5     4    17
  H     0.98729772  1  113.8620542  1  179.9850878  1     7     6     5