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

et2biclr   8207 Diethyl bismuth chloride (Geo)

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    #  Species Formula
  8197 Bi(III)S4C (BENXUN) (Geo)C10H11O2S4Bi
  8198 Bi(III)S4C (BENXUN)C10H11O2S4Bi
  8199 Bi(III)S6(3+) (CLBITU) (Geo)C6H24N12S6Bi
  8200 Bi(III)S6(3+) (CLBITU)C6H24N12S6Bi
  8201 Bi(III)S6 (FEXMAW) (Geo)C6H9O3S6Bi
  8202 Bi(III)S6 (FEXMAW)C6H9O3S6Bi
  8203 Bismuth chlorideClBi
  8204 Dimethyl bismuth chlorideC2H6ClBi
  8205 Dimethyl bismuth chloride (Geo)C2H6ClBi
  8206 Diethyl bismuth chlorideC4H10ClBi
  8207 Diethyl bismuth chloride (Geo) C4H10ClBi
  8208 Bi(III)N2CCl2 (EDIGED) (Geo)C11H11N2Cl2Bi
  8209 Bi(III)N2CCl2 (EDIGED)C11H11N2Cl2Bi
  8210 Bi(III)Cl3 (FAPYOK) (Geo)Cl3Bi
  8211 Bi(III)Cl3 (FAPYOK)Cl3Bi
  8212 Bismuth trichloride (Geo)Cl3Bi
  8213 Bismuth trichlorideCl3Bi
  8214 Bi(III)Cl4(-) (FERCBI10) (Geo)Cl4Bi
  8215 Bi(III)Cl4(-) (FERCBI10)Cl4Bi
  8216 BiCl4(-)Cl4Bi
  8217 BiCl4(-) (Geo)Cl4Bi


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
Diethyl bismuth chloride
 <Bi-Cl> <Bi-C> GR=PW91D
 Bi     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
 Cl     2.74044600 +1    0.0000000 +0    0.0000000 +0     1     0     0
  C     2.48610400 +1   88.9462391 +1    0.0000000 +0     1     2     0
  C     2.32421146 +1   89.8787148 +1   95.4992151 +1     1     2     3
  H     1.09264265 +1  103.6051880 +1   48.8305519 +1     3     1     2
  C     1.50192489 +1  111.4147513 +1  123.1089209 +1     3     1     5
  H     1.09231830 +1  102.3380969 +1  122.4355231 +1     3     1     6
  C     1.51222080 +1  113.5581296 +1 -171.0808697 +1     4     1     2
  H     1.09985310 +1  106.1737423 +1  123.6701474 +1     4     1     8
  H     1.09984976 +1  104.5818764 +1  113.6215550 +1     4     1     9
  H     1.10416023 +1  110.0611515 +1  177.9590911 +1     6     3     1
  H     1.09790249 +1  113.1966586 +1  118.3103743 +1     6     3    11
  H     1.09732772 +1  113.5457821 +1  123.2296244 +1     6     3    12
  H     1.09727909 +1  113.1193995 +1   63.5275496 +1     8     4     1
  H     1.10284774 +1  109.9745669 +1  118.3278530 +1     8     4    14
  H     1.09698487 +1  113.3804259 +1  118.5185018 +1     8     4    15