Accuracy

2-h-tetrazole    580 2-H-Tetrazole

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

    

    #  Species Formula
   570 Hydrazoic acidHN3
   571 Methyl AzideCH3N3
   572 s-Triazine (Geo)C3H3N3
   573 1,3,5-TriazineC3H3N3
   574 EthylenetricarbonitrileHC5N3
   575 1,1,1-EthanetricarbonitrileC5H3N3
   576 1,3,5-TricyanobenzeneC9H3N3
   577 1,1,1-Tricyano-2-phenyl ethaneC11H7N3
   578 2,2',6',2'-TerpyridineC15H11N3
   579 1-H TetrazoleCH2N4
   580 2-H-Tetrazole CH2N4
   581 TetracyanoethyleneC6N4
   582 1,3,5,7-TetraazaadamantaneC6H12N4
   583 MelamineC3H6N6
   584 Oxygen, atomO
   585 Hydroxyl radicalHO
   586 Hydroxide, anionHO
   587 Water (Geo)H2O
   588 WaterH2O
   589 Hydronium, cationH3O
   590 Carbon monoxideCO


ΔHf: 80.0 kcal/mol,     REF: J. O. Cox, G. Pilcher, "Thermochemistry of Organic and Organometallic Compounds," Academic Press, New York, N.Y., 1970.
  

2-H-Tetrazole
 H=79.95,1.1 HR=C&P1970
  N     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  N     1.35757791 +1    0.0000000 +0    0.0000000 +0     1     0     0
  N     1.29078638 +1  107.7730262 +1    0.0000000 +0     2     1     0
  N     1.35203327 +1  111.2643079 +1    0.0262294 +1     1     2     3
  C     1.35446434 +1  104.4408121 +1    0.0187634 +1     4     1     2
  H     1.07583617 +1  126.9639361 +1 -179.9993122 +1     5     4     1
  H     1.00692109 +1  125.7815077 +1  179.9985221 +1     1     2     3