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

bhcl2r   2477 BHCl2 (Geo)

(Previous)     (Back)     (Next)        

   

    #  Species Formula
  2467 SO2ClFO2FSCl
  2468 SF5ClF5SCl
  2469 ChlorineCl2
  2470 Chlorine (Geo)Cl2
  2471 Hydrogen dichloride, anionHCl2
  2472 Lithium chloride dimer (Geo)Li2Cl2
  2473 Lithium chloride, dimerLi2Cl2
  2474 Beryllium dichloride (Geo)BeCl2
  2475 Beryllium dichlorideBeCl2
  2476 BHCl2HBCl2
  2477 BHCl2 (Geo) HBCl2
  2478 Dichloroborane (1)HBCl2
  2479 DichloromethyleneCCl2
  2480 CHCl2(+)HCCl2
  2481 Dichloromethane (Geo)CH2Cl2
  2482 DichloromethaneCH2Cl2
  2483 MethyldichloroboraneH3BCCl2
  2484 DichloroacetyleneC2Cl2
  2485 1,1-DichloroethyleneC2H2Cl2
  2486 cis-DichloroethyleneC2H2Cl2
  2487 cis-Dichloroethylene (Geo)C2H2Cl2


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
 <B-Cl> <> <Cl-B-Cl> <B-H> GR=PW91D
  B     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
 Cl     1.75485500 +1    0.0000000 +0    0.0000000 +0     1     0     0
 Cl     1.71373308 +1  121.3044630 +1    0.0000000 +0     1     2     0
  H     1.19524600 +1  118.6763549 +1  179.9999995 +1     1     2     3