Accuracy

borazole    682 Borazole

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    #  Species Formula
   672 Li(I)(Cp)N2 (SIJNII) (Geo)H23LiC12N2
   673 Li(I)(Cp)N2 (SIJNII)H23LiC12N2
   674 a-Phenyl-1-piperidineacetonitrileC13H16N2
   675 Li(I)N2C5 (FAGCAR) (Geo)H25LiC14N2
   676 Li(I)N2C5 (FAGCAR)H25LiC14N2
   677 2,2'-BiquinolineC18H12N2
   678 TetraisobutylsuccinonitrileC20H36N2
   679 AzideN3
   680 Azide (Geo)N3
   681 Hydrazoic acidHN3
   682 Borazole H6B3N3
   683 Borazole (Geo)H6B3N3
   684 Methyl AzideCH3N3
   685 1,3,5-TriazineC3H3N3
   686 s-Triazine (Geo)C3H3N3
   687 EthylenetricarbonitrileHC5N3
   688 1,1,1-EthanetricarbonitrileC5H3N3
   689 TrisdimethylaminoboraneH18BC6N3
   690 1,3,5-TricyanobenzeneC9H3N3
   691 1,1,1-Tricyano-2-phenyl ethaneC11H7N3
   692 2,2',6',2'-TerpyridineC15H11N3


ΔHf: -122.2 kcal/mol,     REF: M. D. Harmony, V. W. Laurie, R. L. Kuczkowsky, R. H. Schwendeman, D. A. Ramsay, F. J. Lovas, W. J. Lafferty, A. G. Maki, J. Phys. Chem. Ref. Data 8, 3 (1979).
  
 PM7
Borazole
 H=-122.2 HR=HLKS1979
  B     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  N     1.43599032 +1    0.0000000 +0    0.0000000 +0     1     0     0
  B     1.43522743 +1  118.7643363 +1    0.0000000 +0     2     1     0
  N     1.43637008 +1  121.2179746 +1   -0.0234683 +1     3     2     1
  B     1.43547014 +1  118.7887955 +1    0.0041722 +1     4     3     2
  N     1.43617498 +1  121.2180087 +1    0.0169768 +1     5     4     3
  H     1.19593714 +1  119.3624640 +1  179.9963672 +1     1     6     5
  H     1.19606097 +1  119.3808586 +1  179.9861187 +1     5     6     1
  H     1.00295154 +1  120.6031792 +1 -179.9855634 +1     2     1     6
  H     1.00297485 +1  120.6618556 +1  179.9812896 +1     6     1     2
  H     1.19609744 +1  119.4815697 +1  179.9741613 +1     3     2     1
  H     1.00282790 +1  120.5702716 +1 -179.9913649 +1     4     3     2