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

Rh2Cl2C4 (FUZBEH01)   5162 Rh2Cl2C4 (FUZBEH01)

(Previous)     (Back)     (Next)        

   

    #  Species Formula
  5152 Rh(III)O2Cl4(-) (TMAARH) (Geo)O2Cl4Rh
  5153 Rhodium(I) bromide (Geo)BrRh
  5154 Rhodium(I) bromideBrRh
  5155 Rhodium(V) oxide dibromide, cation (Geo)OBr2Rh
  5156 Rhodium(V) oxide dibromide, cationOBr2Rh
  5157 Rhodium(V) tetrabromide, cation (Geo)Br4Rh
  5158 Rhodium(V) tetrabromide, cationBr4Rh
  5159 Rh2(CO)8C8O8Rh2
  5160 Rh2(CO)8 (Geo)C8O8Rh2
  5161 Rh2Cl2C4 (FUZBEH01) (Geo)C4O4Cl2Rh2
  5162 Rh2Cl2C4 (FUZBEH01) C4O4Cl2Rh2
  5163 Trichloro-bis((pentamethylcyclopentadienyl) rhodium(iii)) (Geo)C20H30Cl3Rh2
  5164 Rh2(Cp)2CO2Br (MLDRHB10) (Geo)C13H13O2BrRh2
  5165 Rh2(Cp)2CO2Br (MLDRHB10)C13H13O2BrRh2
  5166 Rh2C12Br2 (RHBRAL) (Geo)C12H20Br2Rh2
  5167 Rh2C12Br2 (RHBRAL)C12H20Br2Rh2
  5168 Palladium, atomPd
  5169 Pd-H(+) (singlet sigma(+)) (Geo)HPd
  5170 Pd-H (doublet sigma(+)) (Geo)HPd
  5171 Palladium dihydride (Geo)H2Pd
  5172 Methyl palladium cation (Geo)CH3Pd


ΔHf: -111.9 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 PM7
Rh2Cl2C4 (FUZBEH01)
 H=-111.9 HR=PW91D
 Rh     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
 Rh     3.01493361 +1    0.0000000 +0    0.0000000 +0     1     0     0
 Cl     2.20069107 +1   45.5816688 +1    0.0000000 +0     1     2     0
  C     1.77152339 +1  129.8941333 +1  179.3965907 +1     1     2     3
  C     1.81684685 +1  127.7978791 +1  159.7703945 +1     1     2     4
  O     1.14330038 +1  136.2219561 +1 -176.5102562 +1     5     2     1
 Cl     2.20244289 +1   45.5894052 +1 -157.6259896 +1     2     1     3
  C     1.76889212 +1  129.9741854 +1  179.6026902 +1     2     1     7
  O     1.14501461 +1  140.7777786 +1  178.6337130 +1     8     1     2
  C     1.82049612 +1  127.6146324 +1  159.6673009 +1     2     1     8
  O     1.14332620 +1  135.5729535 +1 -176.3357305 +1    10     1     2
  O     1.14504736 +1  140.4627270 +1  178.2678168 +1     4     2     1