PM7 Accuracy

methyl n,n-dimethylalaninate   1252 Methyl N,N-dimethylalaninate

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    #  Species Formula
  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
  1250 IsoleucineC6H13NO2
  1251 LeucineC6H13NO2
  1252 Methyl N,N-dimethylalaninate C6H13NO2
  1253 N,N-Dimethylacetamide dimethyl acetalC6H15NO2
  1254 m-Aminobenzoic acidC7H7NO2
  1255 o-Aminobenzoic acidC7H7NO2
  1256 p-Aminobenzoic acidC7H7NO2
  1257 p-NitrotolueneC7H7NO2
  1258 PhenylnitromethaneC7H7NO2
  1259 Salicylaldoxime (Geo)C7H7NO2
  1260 Methyl N,N-,a,a-tetramethylglycinateC7H15NO2
  1261 2,6-DimethylnitrobenzeneC8H9NO2
  1262 2-Amino-2-phenylacetic acidC8H9NO2


DHf: -94.3 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
Methyl N,N-dimethylalaninate
 H=-94.3 HR=NIST
  N     0.00000000  0    0.0000000  0    0.0000000  0     0     0     0
  C     1.47556530  1    0.0000000  0    0.0000000  0     1     0     0
  C     1.52814880  1  106.6101860  1    0.0000000  0     2     1     0
  O     1.20148564  1  128.7734252  1   67.1603013  1     3     2     1
  O     1.35686645  1  108.4896265  1  177.9004024  1     3     2     4
  C     1.42282424  1  116.2311233  1  179.3912792  1     5     3     2
  C     1.47827968  1  111.0683012  1  160.7181181  1     1     2     3
  C     1.47557473  1  113.7367862  1  125.5722799  1     1     2     7
  C     1.53319066  1  117.0463056  1  120.3352572  1     2     1     3
  H     1.12790971  1  107.4568993  1  123.3001828  1     2     1     9
  H     1.09588417  1  103.2174252  1 -178.6149013  1     6     5     3
  H     1.09585450  1  110.1606967  1  118.9156753  1     6     5    11
  H     1.09521329  1  110.1868245  1  121.9111861  1     6     5    12
  H     1.10285659  1  109.4285656  1  -58.4696331  1     7     1     2
  H     1.09983332  1  114.5461352  1  122.3243350  1     7     1    14
  H     1.10392593  1  108.5395800  1  121.3095171  1     7     1    15
  H     1.09924166  1  114.6531789  1  -70.7658676  1     8     1     2
  H     1.10611788  1  109.9717629  1  122.3935358  1     8     1    17
  H     1.10396259  1  108.1493317  1  116.1981510  1     8     1    18
  H     1.09644185  1  111.3445728  1  174.0231698  1     9     2     1
  H     1.09875406  1  111.7481868  1  119.8504445  1     9     2    20
  H     1.09567717  1  111.1331340  1  120.2189628  1     9     2    21