Accuracy

bh3nh3    441 BH3-NH3

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    #  Species Formula
   431 5,6-Dibutyl-5,6-bis(4-tert-butylphenyl)decaneC38H62
   432 Nitrogen, cationN
   433 Nitrogen, atomN
   434 AmidogenH2N
   435 AmmoniaH3N
   436 Ammonia (Geo)H3N
   437 Ammonium, cationH4N
   438 LiNH2H2LiN
   439 LiNH2 (Geo)H2LiN
   440 BH2-NH2 (Geo)H4BN
   441 BH3-NH3 H6BN
   442 BH3-NH3 (Geo)H6BN
   443 Cyanide (Geo)CN
   444 CyanideCN
   445 Hydrogen cyanide (Geo)HCN
   446 Hydrogen cyanideHCN
   447 Hydrogen isocyanideHCN
   448 CH2-NH2, cationCH4N
   449 CH2-NH2, radicalCH4N
   450 CH3-NH.CH4N
   451 CH3NH, anionCH4N


ΔHf: -11.7 kcal/mol,     REF: Estimated from DGauss results of DFT calculations, using the B88-PW91 functional and the DZVP basis set, in CAChe 6.0, Fujitsu Ltd, 2003.
  
 SYMMETRY PM7
BH3-NH3
 H=-11.7 HR=PW91D
 
  B     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  N     1.60141542 +1    0.0000000 +0    0.0000000 +0     1     0     0
  H     1.19223098 +1  116.9460689 +1    0.0000000 +0     1     2     0
  H     1.01813046 +1  110.8087655 +1   60.0000000 +0     2     1     3
  H     1.19223098 +0  116.9460689 +0  120.0000000 +1     1     2     3
  H     1.19223098 +0  116.9460689 +0 -120.0000000 +0     1     2     3
  H     1.01813046 +0  110.8087655 +0  120.0000000 +0     2     1     4
  H     1.01813046 +0  110.8087655 +0 -120.0000000 +0     2     1     4
 
   3  1    5    6
   3  2    5    6
   4  1    7    8
   4  2    7    8