Accuracy

v2cl6   3129 V2Cl6

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    #  Species Formula
  3119 V2C16 (CAMXAP) (Geo)C16H16V2
  3120 V(IV)2O6 (BIWDIU) (Geo)C12H20O8V2
  3121 V(V)2O8N4 (CEKHUV) (Geo)C22H20N4O8V2
  3122 V(V)2O8N4 (CEKHUV)C22H20N4O8V2
  3123 V(V)2O10 (BAFNEB) (Geo)C14H26O10V2
  3124 V(IV)2F6O4(2-) (BAHLUR) (Geo)H4O4F6V2
  3125 V2C10O8 (CPVFAC) (Geo)C18H10O8F12V2
  3126 V(III)2S8Cl2 (ALACIZ) (Geo)C28H24S8Cl2V2
  3127 Vanadium(II) chloride, dimerCl4V2
  3128 Vanadium(II) chloride, dimer (Geo)Cl4V2
  3129 V2Cl6 Cl6V2
  3130 V2Cl6 (Geo)Cl6V2
  3131 V(IV)2Cl9(-) (DOTPAD) (Geo)Cl9V2
  3132 V(IV)2Cl9(-) (DOTPAD)Cl9V2
  3133 Chromium, cationCr
  3134 Chromium, atomCr
  3135 Chromium, anionCr
  3136 Cr(III)C6(3-) (MCRLDX) (Geo)C6H18Cr
  3137 Bicyclopentadienyl chromiumC10H10Cr
  3138 Dibenzene chromiumC12H12Cr
  3139 Cr(II)(NH3)6H18N6Cr


ΔHf: -170.2 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 PULAY PM7
V2Cl6
 H=-170.2 HR=PW91D
  V     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  V     3.02790440 +1    0.0000000 +0    0.0000000 +0     1     0     0
 Cl     2.25809054 +1   47.8542728 +1    0.0000000 +0     2     1     0
 Cl     2.25534689 +1   47.8730953 +1 -177.3111660 +1     2     1     3
 Cl     2.07946765 +1  119.0738644 +1   88.6116766 +1     1     2     3
 Cl     2.08022154 +1  115.4661808 +1  179.7948940 +1     1     2     5
 Cl     2.07941284 +1  115.6517264 +1  -90.8622434 +1     2     1     4
 Cl     2.07935787 +1  118.6550832 +1  179.3627540 +1     2     1     7