Accuracy

1h-benzimidazole    632 1H-Benzimidazole

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

    

    #  Species Formula
   622 3-CyanopyridineC6H4N2
   623 4-CyanopyridineC6H4N2
   624 2,3-Dimethyl pyrazineC6H8N2
   625 HexanedinitrileC6H8N2
   626 PhenylhydrazineC6H8N2
   627 3(Dimethylamino) propanenitrileC6H12N2
   628 TetramethyldiazetineC6H12N2
   629 TriethylenediamineC6H12N2
   630 1,2-DiisopropyldiazeneC6H14N2
   631 DipropyldiazeneC6H14N2
   632 1H-Benzimidazole C7H6N2
   633 1H-IndazoleC7H6N2
   634 1-Methyl-1-phenylhydrazineC7H10N2
   635 t-ButylmalononitrileC7H10N2
   636 Trimethyl pyrazineC7H10N2
   637 1-PiperidineacetonitrileC7H12N2
   638 3,3,5,5-Tetramethyl-1-pyrazolineC7H14N2
   639 m-DicyanobenzeneC8H4N2
   640 o-DicyanobenzeneC8H4N2
   641 p-DicyanobenzeneC8H4N2
   642 PhthalazineC8H6N2


ΔHf: 43.4 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
1H-Benzimidazole
 H=43.43 HR=NIST
  C     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  C     1.41196742 +1    0.0000000 +0    0.0000000 +0     1     0     0
  C     1.38403054 +1  121.9483308 +1    0.0000000 +0     1     2     0
  C     1.39736081 +1  116.7871009 +1    0.0380019 +1     3     1     2
  C     1.43600304 +1  121.6821044 +1    0.0034314 +1     4     3     1
  C     1.39893811 +1  120.2042459 +1   -0.0613892 +1     5     4     3
  N     1.39816562 +1  132.5206253 +1  179.9989673 +1     4     3     5
  C     1.40925025 +1  106.6508433 +1 -179.9548725 +1     7     4     3
  N     1.33112326 +1  111.8563278 +1   -0.0003914 +1     8     7     4
  H     1.09024798 +1  118.4847784 +1 -179.9625797 +1     1     2     3
  H     1.08936298 +1  118.4889824 +1  179.9362802 +1     2     1     3
  H     1.08416896 +1  121.8229759 +1  179.9877699 +1     3     1     4
  H     1.08836362 +1  120.0213464 +1 -179.9951437 +1     6     5     4
  H     0.99265462 +1  125.8673223 +1 -179.9993624 +1     7     4     8
  H     1.07957429 +1  122.2152434 +1  179.9939890 +1     8     7     9