Accuracy

BH3-NH3, dimer r    590 BH3-NH3, dimer (Geo)

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    #  Species Formula
   580 1,2,3,4-Tetrahydro-N-methylcarbazoleC13H15N
   581 9-Ethyl-9H-carbazoleC14H13N
   582 TetradecanenitrileC14H27N
   583 DioctylamineC16H35N
   584 TriphenylamineC18H15N
   585 TrioctylamineC24H51N
   586 Nitrogen (Geo)N2
   587 NitrogenN2
   588 DiazeneH2N2
   589 HydrazineH4N2
   590 BH3-NH3, dimer (Geo) H12B2N2
   591 DiazomethaneCH2N2
   592 N=N-CH2-CH2N2
   593 MethylhydrazineCH6N2
   594 Cyanogen (Geo)C2N2
   595 CyanogenC2N2
   596 Dimethyldiazene (Geo)C2H6N2
   597 1,1-DimethylhydrazineC2H8N2
   598 1,2-DimethylhydrazineC2H8N2
   599 EthylenediamineC2H8N2
   600 1H-PyrazoleC3H4N2


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.
  
 PM7
BH3-NH3, dimer
 <H-H> GR=PW91D
  H     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  H     1.88248400 +1    0.0000000 +0    0.0000000 +0     1     0     0
  H     1.66808400 +1  169.6260210 +1    0.0000000 +0     1     2     0
  H     1.65903700 +1   60.0772660 +1  120.4982370 +1     3     1     2
  H     2.58694500 +1   94.9418520 +1   66.1026810 +1     3     1     4
  H     2.02593700 +1   67.3660940 +1   57.8522590 +1     5     3     1
  H     2.03274400 +1   86.0861080 +1  -59.9554510 +1     5     3     6
  N     2.30979100 +1   86.3876110 +1  121.3202750 +1     2     1     3
  B     1.23159100 +1   93.8325500 +1  -42.3658100 +1     2     1     8
  H     1.03967400 +1   97.0974410 +1   21.8034130 +1     8     2     1
  H     1.02629400 +1  140.9135790 +1 -130.0537560 +1     8     2    10
  H     1.02626600 +1   92.1211560 +1 -122.1731510 +1     8     2    11
  H     1.21998800 +1  110.7935480 +1 -162.8813630 +1     9     2     1
  H     1.22594800 +1  113.5850120 +1  127.4518340 +1     9     2    13
  N     1.02649000 +1   36.4232850 +1  -28.3119610 +1     3     1     5
  B     1.22002600 +1   59.3279480 +1   22.1499630 +1     5     3     7