Accuracy

V(II)CpCP2 (DACFUI) r   3082 V(II)CpCP2 (DACFUI) (Geo)

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    #  Species Formula
  3072 Vanadium(V) fluoride dioxideO2FV
  3073 Vanadium(V) fluoride dioxide (Geo)O2FV
  3074 Vanadium(III) trifluorideF3V
  3075 Vanadium(III) fluoride (Geo)F3V
  3076 Vanadium(V) oxyfluoride (Geo)OF3V
  3077 Vanadium(IV) tetrafluoride 2EF4V
  3078 Vanadium(V) pentafluorideF5V
  3079 Vanadium pentafluoride (Geo)F5V
  3080 Vanadium(V) hexafluoride (Geo)F6V
  3081 V(IV)F6 2T2gF6V
  3082 V(II)CpCP2 (DACFUI) (Geo) C12H24P2V
  3083 Vanadium sulfide, cation (Geo)SV
  3084 V(IV)O3N2 (BAWBUW) (Geo)C12H18N2O2SV
  3085 V(IV)O3N2 (BAWBUW)C12H18N2O2SV
  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


REF: The Cambridge Structural Database: a quarter of a million crystal structures and rising. F. H. Allen, Acta Cryst. B58, 380-388, (2002)
  
 UHF PULAY PM7
V(II)CpCP2 (DACFUI)
 <V-P> <><P-V-P> <V-C(H3)><><> <V-C(C4)> GR=CCDC
  V     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  P     2.46343300 +1    0.0000000 +0    0.0000000 +0     1     0     0
  P     2.52364413 +1   81.1004820 +1    0.0000000 +0     1     2     0
  C     2.22006200 +1   79.9715010 +1  -81.6257328 +1     1     2     3
  C     2.29996100 +1  144.8632707 +1 -158.2273879 +1     1     2     4
  C     1.95468385 +1  108.0399679 +1  -26.9992926 +1     3     1     2
  C     1.88923035 +1  121.4027305 +1  119.1604412 +1     3     1     6
  C     1.88521666 +1  115.5059957 +1  126.3094387 +1     3     1     7
  C     1.43568631 +1   71.1407784 +1  -75.1079593 +1     5     1     2
  C     1.44397340 +1  107.9873839 +1   63.0580628 +1     9     5     1
  C     1.44318317 +1  107.6821380 +1   -0.3624579 +1    10     9     5
  C     1.43555716 +1  107.9929723 +1    0.2379120 +1    11    10     9
  H     2.51850576 +1  103.6875729 +1  158.0864572 +1     2     1     3
  H     1.79778183 +1   69.5150704 +1 -152.1489364 +1    13     2     1
  H     1.78955670 +1   69.1560333 +1   64.9797322 +1    13     2    14
  H     2.51958823 +1  110.5303035 +1   77.1256878 +1     2     1    13
  H     1.78402396 +1   69.0376613 +1   90.6470933 +1    16     2     1
  H     1.80226573 +1   60.1159098 +1   78.1783121 +1    17    16     2
  H     2.18051505 +1  134.7503523 +1    8.2197213 +1     6     3     1
  H     1.80016529 +1   65.9736040 +1   89.1304521 +1    19     6     3
  H     1.11616404 +1  109.7692875 +1  148.8246273 +1     6     3    19
  H     1.12303418 +1  107.0668378 +1  115.9509182 +1     6     3    21
  H     1.10812590 +1  113.0505232 +1 -172.2052809 +1     7     3     1
  H     1.11518557 +1  110.1509163 +1  120.7515370 +1     7     3    23
  H     1.11443665 +1  110.5730987 +1  117.4824385 +1     7     3    24
  H     1.11638892 +1  110.7426459 +1   45.9401206 +1     8     3     1
  H     1.10947811 +1  112.4401548 +1  121.2857315 +1     8     3    26
  H     1.11551019 +1  110.4900382 +1  121.0954894 +1     8     3    27
  H     1.07810268 +1  128.1475337 +1 -120.8207930 +1     5     1     9
  H     1.07888342 +1  124.7635004 +1  167.5619836 +1     9     5    10
  H     1.07793843 +1  125.5705267 +1  167.7051843 +1    10     9    11
  H     1.07916230 +1  125.9172009 +1  167.0819817 +1    11    10    12
  H     1.07851156 +1  125.3994235 +1  173.5305953 +1    12    11    10
  H     1.11316911 +1   82.5485030 +1  -85.0495374 +1     4     1     2
  H     1.07201051 +1  148.5092485 +1  124.3365955 +1     4     1    34
  H     1.11297085 +1   82.4137236 +1  124.6415064 +1     4     1    35
  C     1.11552458 +1   44.8713234 +1  -33.0758964 +1    13     2    15
  C     1.10708119 +1   35.8127706 +1  -38.3836780 +1    18    17    16
  C     1.11804460 +1   36.2351850 +1  -39.9839178 +1    20    19     6