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

VCp2Cl (DCPVCL)   3100 VCp2Cl (DCPVCL)

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    #  Species Formula
  3090 Vanadium PH2 SH NH2 (Geo)H5NPSV
  3091 V(IV)S4O(2-) (CAVWAX) (Geo)C4H8OS4V
  3092 V(IV)S4O(2-) (CAVWAX)C4H8OS4V
  3093 V(IV)S5 (CUSPOV) (Geo)C4H8S5V
  3094 V(IV)S5 (CUSPOV)C4H8S5V
  3095 V(V)S6O (BIRYOO10) (Geo)C9H15O4S6V
  3096 V(V)S6O (BIRYOO10)C9H15O4S6V
  3097 Vanadium(I) chlorideClV
  3098 Vanadium(I) chloride (Geo)ClV
  3099 VCp2Cl (DCPVCL) (Geo)C10H10ClV
  3100 VCp2Cl (DCPVCL) C10H10ClV
  3101 Vanadium(V) chloride dioxideO2ClV
  3102 Vanadium(V) chloride dioxide (Geo)O2ClV
  3103 (h5-Cyclopentadienyl)-dichloro-oxo-vanadium(v) (NIRKUU) (Geo)C5H5OCl2V
  3104 VC5Cl2P2 (CECKIE) (Geo)C11H23P2Cl2V
  3105 V(II)P4Cl2 (DAJDOH) (Geo)C12H32P4Cl2V
  3106 Vanadium(III) trichlorideCl3V
  3107 Vanadium(III) trichloride (Geo)Cl3V
  3108 Vanadium(V) oxychloride (Geo)OCl3V
  3109 V(III)ON2Cl3 (AFUGAJ) (Geo)C20H24N2OCl3V
  3110 V(III)ON2Cl3 (AFUGAJ)C20H24N2OCl3V


ΔHf: 4.3 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
VCp2Cl (DCPVCL)
 H=4.3 HR=PW91D
  V     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
 Cl     2.14933288 +1    0.0000000 +0    0.0000000 +0     1     0     0
  C     2.27077253 +1  136.5401886 +1    0.0000000 +0     1     2     0
  C     1.43858188 +1   71.1086165 +1    6.2019504 +1     3     1     2
  C     1.43605535 +1  108.0267107 +1  -63.9752514 +1     4     3     1
  C     2.29397131 +1  143.8693708 +1  153.6275622 +1     1     2     3
  C     1.43534167 +1   70.2466973 +1  -59.9561613 +1     6     1     2
  C     1.44313735 +1  107.8534956 +1   64.1915566 +1     7     6     1
  H     1.08159568 +1  130.9162364 +1  121.1022332 +1     3     1     4
  H     1.08314328 +1  125.6937701 +1 -170.6938990 +1     4     3     5
  H     1.08461839 +1  125.7848834 +1 -170.3695411 +1     5     4     3
  H     1.08184207 +1  131.6218447 +1 -120.7051935 +1     6     1     7
  H     1.08229943 +1  125.8350124 +1  168.9391398 +1     7     6     8
  H     1.08366442 +1  125.4498524 +1  170.2065492 +1     8     7     6
  C     1.43885106 +1   71.6249259 +1  121.7460227 +1     3     1     9
  C     1.43803163 +1  107.9375544 +1   62.0762385 +1    15     3     1
  C     1.43603105 +1   70.2446875 +1 -120.6455529 +1     6     1    12
  C     1.43089836 +1  108.0300213 +1 -172.5584934 +1     8     7    14
  H     1.08159518 +1  125.7445822 +1  170.2291453 +1    15     3    16
  H     1.08316772 +1  125.6868365 +1  172.3510366 +1    16    15     3
  H     1.08222509 +1  125.7947458 +1  127.0669188 +1    17     6     1
  H     1.08363910 +1  126.0293569 +1  172.3307201 +1    18     8     7