PM7 Accuracy

n,n-dimethyl-m-nitroaniline   1296 N,N-Dimethyl-m-nitroaniline

(Previous)     (Back)     (Next)         Geometry predicted using PM7

   

    #  Species Formula
  1286 Acetyl-ureaC3H6N2O2
  1287 PropanediamideC3H6N2O2
  1288 Pyrazine-1,4-dioxideC4H4N2O2
  1289 UracilC4H4N2O2
  1290 ThymineC5H6N2O2
  1291 m-NitroanilineC6H6N2O2
  1292 p-NitroanilineC6H6N2O2
  1293 LysineC6H14N2O2
  1294 IsophthalamideC8H8N2O2
  1295 TeraphthalamideC8H8N2O2
  1296 N,N-Dimethyl-m-nitroaniline C8H10N2O2
  1297 N,N-Dimethyl-p-nitroanilineC8H10N2O2
  1298 TryptophanC11H12N2O2
  1299 Be(II)N2O2 (XEFSEG) (Geo)H16BeC22N2O2
  1300 Imidodicarbonic diamideC2H5N3O2
  1301 HistidineC6H9N3O2
  1302 ArgenineC6H14N4O2
  1303 Ozone (Geo)O3
  1304 OzoneO3
  1305 LiOH.2H2OH5LiO3
  1306 LiOH.2H2O (Geo)H5LiO3


DHf: 17.4 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
N,N-Dimethyl-m-nitroaniline
 H=17.4 HR=NIST
  C     0.00000000  0    0.0000000  0    0.0000000  0     0     0     0
  C     1.41409457  1    0.0000000  0    0.0000000  0     1     0     0
  C     1.38774332  1  120.8979392  1    0.0000000  0     2     1     0
  C     1.39403742  1  120.9735913  1   -0.4039129  1     3     2     1
  C     1.39310653  1  118.0288472  1   -0.1111345  1     4     3     2
  C     1.39142441  1  122.4115233  1    0.0263189  1     5     4     3
  N     1.39905489  1  120.7433242  1 -172.9366880  1     1     2     3
  N     1.46115467  1  118.9932689  1 -179.7039301  1     5     4     6
  O     1.22099344  1  118.3213700  1  176.5685400  1     8     5     4
  O     1.22030749  1  118.2585630  1 -179.9035123  1     8     5     9
  H     1.08729657  1  120.2118215  1  179.3982086  1     2     1     3
  H     1.09142340  1  119.5798202  1  179.9981446  1     3     2     4
  C     1.47140366  1  117.2253737  1  -26.2150275  1     7     1     2
  H     1.09146866  1  119.3231506  1 -179.7356393  1     6     5     4
  C     1.47180101  1  117.3110331  1 -139.4209574  1     7     1    13
  H     1.10243575  1  113.2407061  1  -57.0679974  1    13     7     1
  H     1.10536240  1  109.5535690  1  121.8656386  1    13     7    16
  H     1.10352859  1  110.2118029  1  116.6671850  1    13     7    17
  H     1.10696663  1  109.3535940  1  -63.9113933  1    15     7     1
  H     1.10256681  1  113.3957993  1  121.7851032  1    15     7    19
  H     1.10302668  1  110.1782974  1  121.6771941  1    15     7    20
  H     1.09128757  1  121.0056181  1 -179.9590135  1     4     3     5