Accuracy

vanadium(i) chloride   3096 Vanadium(I) chloride

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    #  Species Formula
  3086 VC8S (CUDNIY) (Geo)C10H11O3SV
  3087 VC8S (CUDNIY)C10H11O3SV
  3088 V(IV)O2N3 (ASAVAR) (Geo)C20H16N4O5SV
  3089 Vanadium PH2 SH NH2 (Geo)H5NPSV
  3090 V(IV)S4O(2-) (CAVWAX) (Geo)C4H8OS4V
  3091 V(IV)S4O(2-) (CAVWAX)C4H8OS4V
  3092 V(IV)S5 (CUSPOV) (Geo)C4H8S5V
  3093 V(IV)S5 (CUSPOV)C4H8S5V
  3094 V(V)S6O (BIRYOO10) (Geo)C9H15O4S6V
  3095 V(V)S6O (BIRYOO10)C9H15O4S6V
  3096 Vanadium(I) chloride ClV
  3097 Vanadium(I) chloride (Geo)ClV
  3098 VCp2Cl (DCPVCL) (Geo)C10H10ClV
  3099 VCp2Cl (DCPVCL)C10H10ClV
  3100 Vanadium(V) chloride dioxideO2ClV
  3101 Vanadium(V) chloride dioxide (Geo)O2ClV
  3102 (h5-Cyclopentadienyl)-dichloro-oxo-vanadium(v) (NIRKUU) (Geo)C5H5OCl2V
  3103 VC5Cl2P2 (CECKIE) (Geo)C11H23P2Cl2V
  3104 V(II)P4Cl2 (DAJDOH) (Geo)C12H32P4Cl2V
  3105 Vanadium(III) trichlorideCl3V
  3106 Vanadium(III) trichloride (Geo)Cl3V


Dipole: 4.8 Debye,     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.: 4.1 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.
  
 KING UHF PM7
Vanadium(I) chloride
 I=4.12 IR=PW91D D=4.82 DR=PW91D
  V     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
 Cl     2.20944713 +1    0.0000000 +0    0.0000000 +0     1     0     0