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

b2h5clr   2330 Chlorodiborane (Geo)

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    #  Species Formula
  2320 Chloride, anionCl
  2321 Hydrogen chloride (Geo)HCl
  2322 Hydrogen chlorideHCl
  2323 Helium chloride anion (Geo)HeCl
  2324 Lithium chloride (Geo)LiCl
  2325 Lithium chlorideLiCl
  2326 Beryllium chlorideBeCl
  2327 Boron chlorideBCl
  2328 BH2ClH2BCl
  2329 BH2Cl (Geo)H2BCl
  2330 Chlorodiborane (Geo) H5B2Cl
  2331 ChloromethylidyneCCl
  2332 Chloromethylene (Geo)HCCl
  2333 ChloromethyleneHCCl
  2334 Chloromethane (Geo)CH3Cl
  2335 Methyl chlorideCH3Cl
  2336 CH3ClH(+)CH4Cl
  2337 Chloroacetylene (Geo)HC2Cl
  2338 ChloroacetyleneHC2Cl
  2339 ChloroethyleneC2H3Cl
  2340 Chloroethane (Geo)C2H5Cl


REF: J. H. Callomon, E. Hirota, T. Iijima, K. Kuchitsu, W. J. Lafferty, "Structure Data on Free Polyatomic Molecules," Landolt-Bornstein, New Series, Group II, Vol. 15, Springer, Berlin (1977).
  
 PM7
Chlorodiborane
 <BB> <BHb> <> <> <> <B-Cl> <B-B-Cl> GR=CHIK1986
  B     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  B     1.77500000 +1    0.0000000 +0    0.0000000 +0     1     0     0
  H     1.33100000 +1   53.1869191 +1    0.0000000 +0     2     1     0
  H     1.43375876 +1   48.5659546 +1  180.0000000 +0     1     2     3
 Cl     1.77500000 +1  120.9000000 +1   90.0000000 +0     1     2     3
  H     1.19902348 +1  114.7030715 +1  180.0000000 +0     1     5     2
  H     1.19436803 +1  132.2087803 +1   90.0000000 +0     2     1     3
  H     1.19570129 +1  131.6215191 +1  -90.0000000 +0     2     1     3