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

v2cl4   3128 Vanadium(II) chloride, dimer

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    #  Species Formula
  3118 Vanadium(V) hexachloride (Geo)Cl6V
  3119 Vanadium, dimer (Geo)V2
  3120 V2C16 (CAMXAP) (Geo)C16H16V2
  3121 V(IV)2O6 (BIWDIU) (Geo)C12H20O8V2
  3122 V(V)2O8N4 (CEKHUV) (Geo)C22H20N4O8V2
  3123 V(V)2O8N4 (CEKHUV)C22H20N4O8V2
  3124 V(V)2O10 (BAFNEB) (Geo)C14H26O10V2
  3125 V(IV)2F6O4(2-) (BAHLUR) (Geo)H4O4F6V2
  3126 V2C10O8 (CPVFAC) (Geo)C18H10O8F12V2
  3127 V(III)2S8Cl2 (ALACIZ) (Geo)C28H24S8Cl2V2
  3128 Vanadium(II) chloride, dimer Cl4V2
  3129 Vanadium(II) chloride, dimer (Geo)Cl4V2
  3130 V2Cl6Cl6V2
  3131 V2Cl6 (Geo)Cl6V2
  3132 V(IV)2Cl9(-) (DOTPAD) (Geo)Cl9V2
  3133 V(IV)2Cl9(-) (DOTPAD)Cl9V2
  3134 Chromium, cationCr
  3135 Chromium, atomCr
  3136 Chromium, anionCr
  3137 Cr(III)C6(3-) (MCRLDX) (Geo)C6H18Cr
  3138 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