Accuracy

palladium(ii) tetrafluoride   5217 Palladium(II) tetrafluoride

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    #  Species Formula
  5207 Pd(II)N4 (BETWEC)C4H9N8O4Pd
  5208 Pd(II)(Ox)2(2-) (FOVMUY) (Geo)C4O8Pd
  5209 Pd(II)(Ox)2(2-) (FOVMUY)C4O8Pd
  5210 Palladium EDTAC10H12N2O8Pd
  5211 Palladium EDTA (Geo)C10H12N2O8Pd
  5212 Pd-F (doublet sigma(+)) (Geo)FPd
  5213 Palladium fluoride hydride (Geo)HFPd
  5214 Methyl palladium fluorideCH3FPd
  5215 Methyl palladium fluoride (Geo)CH3FPd
  5216 Palladium(II) difluorideF2Pd
  5217 Palladium(II) tetrafluoride F4Pd
  5218 cis-Pd(PH3)2(SiH3)2 (Geo)H12Si2P2Pd
  5219 (Ph)2P(CH2)3N(Me)2 - Pd(II) - (SCN)(NCS) (Geo)C19H22N3PS2Pd
  5220 Pd(II)S3N (CAXQUN) (Geo)C6H6N6OS3Pd
  5221 Pd(II)S4 (LESSIL) (Geo)C4H6N4S4Pd
  5222 Pd(II)S4 (LESSIL)C4H6N4S4Pd
  5223 Pd(II)S2N2 (BEWKAP) (Geo)C10H20N4S4Pd
  5224 Pd(II)S2N2 (BEWKAP)C10H20N4S4Pd
  5225 Pd(II)S4 (DTHBPD10) (Geo)C4H8N6S4Pd
  5226 Pd(II)S4 (DTHBPD10)C4H8N6S4Pd
  5227 Pd(II)S4 (FECTUC) (Geo)C14H24N2O4S4Pd


ΔHf: -156.7 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.
I.P.: -4.7 eV,     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.
  
 CHARGE=-2 PULAY SHIFT=80 SYMMETRY PM7
Palladium(II) tetrafluoride
 H=-156.68 HR=PW91D I=-4.69 IR=PW91D
 
 Pd     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  F     1.87806398 +1    0.0000000 +0    0.0000000 +0     1     0     0
  F     1.87806398 +0   90.0000000 +1    0.0000000 +0     1     2     0
  F     1.87806398 +0   90.0000000 +0 -180.0000000 +0     1     2     3
  F     1.87806398 +0   90.0000000 +0 -180.0000000 +0     1     4     2
 
   2  1    3    4    5    3    4    5    3    4    5    3
   2  1    4    5    3    4    5