PM7 Accuracy

ch3-nh.    452 CH3-NH.

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

   

    #  Species Formula
   442 BH2-NH2 (Geo)H4BN
   443 BH3-NH3H6BN
   444 BH3-NH3 (Geo)H6BN
   445 Cyanide (Geo)CN
   446 CyanideCN
   447 Hydrogen cyanide (Geo)HCN
   448 Hydrogen cyanideHCN
   449 Hydrogen isocyanideHCN
   450 CH2-NH2, cationCH4N
   451 CH2-NH2, radicalCH4N
   452 CH3-NH. CH4N
   453 CH3NH, anionCH4N
   454 Methylamine (Geo)CH5N
   455 MethylamineCH5N
   456 Lithium isocyanide (Geo)LiCN
   457 Lithium isocyanideLiCN
   458 AcetonitrileC2H3N
   459 Acetonitrile (Geo)C2H3N
   460 Methyl isocyanide (Geo)C2H3N
   461 Methyl isocyanideC2H3N
   462 Ethyleneimine (Azirane) (Geo)C2H5N


DHf: 37.0 kcal/mol,     REF: J. L. Franklin, J. G. Dillard, H. M. Rosenstock, J. T. Herron, K. Draxl, F. H. Field, Natl. Stand. Ref. Data Ser., Natl. Bur. Stand., No. 26 (1969).
  
 OPEN(1,1) PM7
CH3-NH.
 H=37 HR=FDRH1969
  N     0.00000000  0    0.0000000  0    0.0000000  0     0     0     0
  C     1.43133412  1    0.0000000  0    0.0000000  0     1     0     0
  H     1.10045209  1  117.0483596  1    0.0000000  0     2     1     0
  H     1.10955653  1  108.3212121  1  122.5801131  1     2     3     1
  H     1.10955654  1  108.3211888  1 -122.5801086  1     2     3     1
  H     1.00041686  1  114.1323375  1    0.0005825  1     1     2     3