Accuracy

dimethyl rhenium chloride   7464 Dimethyl rhenium chloride

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    #  Species Formula
  7454 Dimethyl rhenium fluorideC2H6FRe
  7455 Dimethyl rhenium fluoride (Geo)C2H6FRe
  7456 Re(CO)5FC5O5FRe
  7457 Re(CO)5F (Geo)C5O5FRe
  7458 Re(VI)S3N3 (KEKMAO) (Geo)C18H15N3S3Re
  7459 Re(VI)S3N3 (KEKMAO)C18H15N3S3Re
  7460 Re(VII)S3O3(+) (JEMMET) (Geo)C6H12O3S3Re
  7461 Re(VII)S3O3(+) (JEMMET)C6H12O3S3Re
  7462 Rhenium(I) chloride (Geo)ClRe
  7463 Rhenium(I) chlorideClRe
  7464 Dimethyl rhenium chloride C2H6ClRe
  7465 Dimethyl rhenium chloride (Geo)C2H6ClRe
  7466 Re(III)(Cp)2Cl (JIPVAF) (Geo)C10H10ClRe
  7467 Re(III)(Cp)2Cl (JIPVAF)C10H10ClRe
  7468 Re(VII)N2O3Cl (FOJNEX) (Geo)C12H8N2O3ClRe
  7469 Re(VII)N2O3Cl (FOJNEX)C12H8N2O3ClRe
  7470 Re(CO)5Cl (FOHCAG) (Geo)C5O5ClRe
  7471 Re(CO)5Cl (FOHCAG)C5O5ClRe
  7472 Re(III)P4Cl2(+) (DAKJII) (Geo)C12H32P4Cl2Re
  7473 Rhenium(III) trichloride (Geo)Cl3Re
  7474 Rhenium(III) trichlorideCl3Re


ΔHf: 137.3 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.
  
 UHF SHIFT=80 PULAY PM7
Dimethyl rhenium chloride
 H=137.3 HR=PW91D
 Re     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  C     2.00593241 +1    0.0000000 +0    0.0000000 +0     1     0     0
  C     2.00426272 +1  132.9072646 +1    0.0000000 +0     1     2     0
 Cl     2.31329983 +1  113.5038938 +1  173.3173236 +1     1     2     3
  H     1.10361528 +1  105.0991206 +1  128.9265070 +1     2     1     3
  H     1.11348714 +1   99.0361767 +1  113.2610621 +1     2     1     5
  H     1.08671136 +1  116.9525136 +1  120.8905100 +1     2     1     6
  H     1.10456727 +1  104.4042126 +1 -129.0623043 +1     3     1     2
  H     1.08598435 +1  117.8266710 +1  125.8996194 +1     3     1     8
  H     1.11424538 +1   98.7419105 +1  121.3889326 +1     3     1     9