Accuracy

v2cl4   3127 Vanadium(II) chloride, dimer

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    #  Species Formula
  3117 Vanadium(V) hexachloride (Geo)Cl6V
  3118 Vanadium, dimer (Geo)V2
  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, dimer Cl4V2
  3128 Vanadium(II) chloride, dimer (Geo)Cl4V2
  3129 V2Cl6Cl6V2
  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


ΔHf: -62.7 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.
  
 PULAY SHIFT=80 UHF PM7
Vanadium(II) chloride, dimer
 H=-62.7 HR=PW91D
 Cl     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  V     2.11133794 +1    0.0000000 +0    0.0000000 +0     1     0     0
 Cl     2.27114717 +1  144.1515040 +1    0.0000000 +0     2     1     0
 Cl     2.24640151 +1   98.3985214 +1  179.2136256 +1     2     3     1
  V     2.25939162 +1   81.9363651 +1    0.4604741 +1     4     2     3
 Cl     2.11041050 +1  179.5248090 +1   92.5161883 +1     5     2     3