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

re(ch3)2clr   7466 Dimethyl rhenium chloride (Geo)

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    #  Species Formula
  7456 Dimethyl rhenium fluoride (Geo)C2H6FRe
  7457 Re(CO)5FC5O5FRe
  7458 Re(CO)5F (Geo)C5O5FRe
  7459 Re(VI)S3N3 (KEKMAO) (Geo)C18H15N3S3Re
  7460 Re(VI)S3N3 (KEKMAO)C18H15N3S3Re
  7461 Re(VII)S3O3(+) (JEMMET) (Geo)C6H12O3S3Re
  7462 Re(VII)S3O3(+) (JEMMET)C6H12O3S3Re
  7463 Rhenium(I) chloride (Geo)ClRe
  7464 Rhenium(I) chlorideClRe
  7465 Dimethyl rhenium chlorideC2H6ClRe
  7466 Dimethyl rhenium chloride (Geo) C2H6ClRe
  7467 Re(III)(Cp)2Cl (JIPVAF) (Geo)C10H10ClRe
  7468 Re(III)(Cp)2Cl (JIPVAF)C10H10ClRe
  7469 Re(VII)N2O3Cl (FOJNEX) (Geo)C12H8N2O3ClRe
  7470 Re(VII)N2O3Cl (FOJNEX)C12H8N2O3ClRe
  7471 Re(CO)5Cl (FOHCAG) (Geo)C5O5ClRe
  7472 Re(CO)5Cl (FOHCAG)C5O5ClRe
  7473 Re(III)P4Cl2(+) (DAKJII) (Geo)C12H32P4Cl2Re
  7474 Rhenium(III) trichloride (Geo)Cl3Re
  7475 Rhenium(III) trichlorideCl3Re
  7476 Re(V)O2Cl4(-) (FOAMDS10) (Geo)H2O2Cl4Re


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.
  
 UHF SHIFT=80 RELSCF=100 PULAY PM7
Dimethyl rhenium chloride
 <Re-C> <><> <Re-Cl> <C-Re-Cl> GR=PW91D
 Re     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  C     2.05132000 +1    0.0000000 +0    0.0000000 +0     1     0     0
  C     2.07746494 +1  123.8309326 +1    0.0000000 +0     1     2     0
 Cl     2.25883000 +1  130.4462440 +1  148.6707899 +1     1     2     3
  H     1.08989531 +1  110.8492150 +1  159.1299111 +1     2     1     3
  H     1.09281157 +1  109.7375733 +1  120.0854360 +1     2     1     5
  H     1.09065024 +1  107.9909311 +1  119.1508117 +1     2     1     6
  H     1.09058685 +1  108.3358040 +1 -149.9241388 +1     3     1     2
  H     1.08760770 +1  109.8628721 +1  120.3557409 +1     3     1     8
  H     1.09066790 +1  109.9526430 +1  120.5031585 +1     3     1     9