PM7 Accuracy Date:Mon Feb 11 04:20:05 2019

bh3nh3    443 BH3-NH3

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    #  Species Formula
   433 5,6-Dibutyl-5,6-bis(4-tert-butylphenyl)decaneC38H62
   434 Nitrogen, cationN
   435 Nitrogen, atomN
   436 AmidogenH2N
   437 AmmoniaH3N
   438 Ammonia (Geo)H3N
   439 Ammonium, cationH4N
   440 LiNH2H2LiN
   441 LiNH2 (Geo)H2LiN
   442 BH2-NH2 (Geo)H4BN
   443 BH3-NH3 H6BN
   444 BH3-NH3 (Geo)H6BN
   445 Cyanide (Geo)CN
   446 CyanideCN
   447 Hydrogen cyanide (Geo)HCN
   448 Hydrogen cyanideHCN
   449 Hydrogen isocyanideHCN
   450 CH2-NH2, cationCH4N
   451 CH2-NH2, radicalCH4N
   452 CH3-NH.CH4N
   453 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