Accuracy

bhcl2   2475 BHCl2

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    #  Species Formula
  2465 HOSO2ClHO3SCl
  2466 SO2ClFO2FSCl
  2467 SF5ClF5SCl
  2468 ChlorineCl2
  2469 Chlorine (Geo)Cl2
  2470 Hydrogen dichloride, anionHCl2
  2471 Lithium chloride dimer (Geo)Li2Cl2
  2472 Lithium chloride, dimerLi2Cl2
  2473 Beryllium dichloride (Geo)BeCl2
  2474 Beryllium dichlorideBeCl2
  2475 BHCl2 HBCl2
  2476 BHCl2 (Geo)HBCl2
  2477 Dichloroborane (1)HBCl2
  2478 DichloromethyleneCCl2
  2479 CHCl2(+)HCCl2
  2480 Dichloromethane (Geo)CH2Cl2
  2481 DichloromethaneCH2Cl2
  2482 MethyldichloroboraneH3BCCl2
  2483 DichloroacetyleneC2Cl2
  2484 1,1-DichloroethyleneC2H2Cl2
  2485 cis-DichloroethyleneC2H2Cl2


ΔHf: -64.4 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.
Dipole: 0.5 Debye,     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
BHCl2
 H=-64.4 HR=PW91D D=0.5 DR=PW91D
  B     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
 Cl     1.72090648 +1    0.0000000 +0    0.0000000 +0     1     0     0
 Cl     1.72155615 +1  121.2391519 +1    0.0000000 +0     1     2     0
  H     1.18694952 +1  119.3631641 +1  179.9999958 +1     1     2     3