PM7 Accuracy

1,2-diisopropyldiazene    633 1,2-Diisopropyldiazene

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

   

    #  Species Formula
   623 N,N-Dimethyl-1,3-propanediamineC5H14N2
   624 2-CyanopyridineC6H4N2
   625 3-CyanopyridineC6H4N2
   626 4-CyanopyridineC6H4N2
   627 2,3-Dimethyl pyrazineC6H8N2
   628 HexanedinitrileC6H8N2
   629 PhenylhydrazineC6H8N2
   630 3(Dimethylamino) propanenitrileC6H12N2
   631 TetramethyldiazetineC6H12N2
   632 TriethylenediamineC6H12N2
   633 1,2-Diisopropyldiazene C6H14N2
   634 DipropyldiazeneC6H14N2
   635 1H-BenzimidazoleC7H6N2
   636 1H-IndazoleC7H6N2
   637 1-Methyl-1-phenylhydrazineC7H10N2
   638 t-ButylmalononitrileC7H10N2
   639 Trimethyl pyrazineC7H10N2
   640 1-PiperidineacetonitrileC7H12N2
   641 3,3,5,5-Tetramethyl-1-pyrazolineC7H14N2
   642 m-DicyanobenzeneC8H4N2
   643 o-DicyanobenzeneC8H4N2


DHf: 8.6 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
1,2-Diisopropyldiazene
 H=8.6 HR=NIST
  C     0.00000000  0    0.0000000  0    0.0000000  0     0     0     0
  C     1.53170828  1    0.0000000  0    0.0000000  0     1     0     0
  N     1.48058432  1  116.1764830  1    0.0000000  0     2     1     0
  N     1.23965374  1  117.6869377  1    7.0838530  1     3     2     1
  C     1.48037481  1  117.6766003  1  179.9816649  1     4     3     2
  C     1.53665683  1  110.8221667  1  121.7795787  1     2     1     3
  C     1.53145654  1  116.3022061  1   -7.0861384  1     5     4     3
  C     1.53676882  1  106.5912660  1  124.0240846  1     5     4     7
  H     1.09753132  1  111.4161971  1  -61.3078111  1     1     2     3
  H     1.09701769  1  111.2228478  1  118.6935525  1     1     2     9
  H     1.09384757  1  111.3210859  1  120.6729487  1     1     2    10
  H     1.12626970  1  109.2766846  1  120.7855796  1     2     1     6
  H     1.12649090  1  104.0724347  1  115.6927667  1     5     4     8
  H     1.09774325  1  111.2011575  1 -177.7139849  1     6     2     1
  H     1.09613214  1  111.4079728  1  119.6929344  1     6     2    14
  H     1.09474004  1  110.8198740  1  120.1761730  1     6     2    15
  H     1.09705258  1  111.2393702  1  -57.5386597  1     7     5     4
  H     1.09760817  1  111.3946725  1  118.6410017  1     7     5    17
  H     1.09389223  1  111.3357998  1  120.6347160  1     7     5    18
  H     1.09600312  1  111.4305357  1  -70.0021103  1     8     5     4
  H     1.09777828  1  111.2071705  1  119.7713594  1     8     5    20
  H     1.09480716  1  110.7943040  1  120.0610293  1     8     5    21