Accuracy

V(II)O6(2plus) (DATBUV) r   3057 V(II)O6(2+) (DATBUV) (Geo)

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    #  Species Formula
  3047 V(IV)O3N3 (CAGSAE) (Geo)C14H13N3O5V
  3048 V(IV)O3N3 (CAGSAE)C14H13N3O5V
  3049 VO(H2O)5 (Geo)H10O6V
  3050 V(III)O6(3+) (COLNUM) (Geo)H12O6V
  3051 V(III)O6(3+) (COLNUM)H12O6V
  3052 V(II)(H2O)6H12O6V
  3053 V(II)(H2O)6 (Geo)H12O6V
  3054 Vanadium hexacarbonyl (Geo)C6O6V
  3055 V(CO)6(-) (BOBHIJ) (Geo)C6O6V
  3056 V(CO)6(-) (BOBHIJ)C6O6V
  3057 V(II)O6(2+) (DATBUV) (Geo) C6H18O6V
  3058 V(IV)O6(2-) (BOBWEU) (Geo)C18H12O6V
  3059 V(IV)O6(2-) (BOBWEU)C18H12O6V
  3060 Vanadium(III) EDTA (Geo)C10H12N2O8V
  3061 Vanadium(III) EDTAC10H12N2O8V
  3062 V(V)O6(3-) (AOXOVA) (Geo)C4O10V
  3063 V(V)O6(3-) (AOXOVA)C4O10V
  3064 V(IV)O6(2-) (AOXVAN10) (Geo)C4H2O10V
  3065 V(IV)O6(2-) (AOXVAN10)C4H2O10V
  3066 V(III)O6(-) (DABKEW) (Geo)C4H4O10V
  3067 V(III)O6(-) (DABKEW)C4H4O10V


REF: The Cambridge Structural Database: a quarter of a million crystal structures and rising. F. H. Allen, Acta Cryst. B58, 380-388, (2002)
  
 CHARGE=2 QUARTET UHF PM7
V(II)O6(2+) (DATBUV)
 <V-O> <><> <><><> <O-C> <C-O-V> GR=CCDC
  V     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  O     2.13277300 +1    0.0000000 +0    0.0000000 +0     1     0     0
  O     1.75397313 +1   88.1740764 +1    0.0000000 +0     1     2     0
  O     1.74810823 +1   98.2009757 +1  100.7683343 +1     1     2     3
  C     1.43919300 +1  129.5049510 +1  -89.4525820 +1     2     1     3
  C     1.40225764 +1  179.7374208 +1   23.4322715 +1     3     1     2
  C     1.40539398 +1  179.9782148 +1 -101.5868488 +1     4     1     2
  O     2.07365177 +1   94.0424748 +1  179.6863199 +1     1     4     2
  O     1.75138504 +1   88.5705019 +1  112.1093221 +1     1     2     5
  O     2.14224359 +1   78.1792776 +1   79.2127299 +1     1     2     9
  C     1.31071061 +1  177.4345524 +1  165.6064602 +1     8     1     4
  C     1.40305794 +1  177.9446765 +1  -55.1578599 +1     9     1     2
  C     1.31936835 +1  168.4634212 +1   -2.8169719 +1    10     1     2
 XX     3.04566500 +1  129.4552790 +1 -157.3884530 +1     2     1     5
  H     1.11766125 +1  104.9562259 +1 -126.5925031 +1     5     2     1
  H     1.11607594 +1  105.1082010 +1 -111.3973379 +1     5     2    15
  H     1.09428945 +1  112.6843761 +1 -124.6168914 +1     5     2    16
  H     1.10131929 +1  108.1887202 +1  -13.1872156 +1     6     3     2
  H     1.10355388 +1  107.7135395 +1  119.7675586 +1     6     3    18
  H     1.10085902 +1  108.2241451 +1  119.9193658 +1     6     3    19
  H     1.10231162 +1  107.9093121 +1  -59.5900821 +1     7     4     8
  H     1.10211185 +1  107.9470741 +1  120.1271584 +1     7     4    21
  H     1.10049387 +1  108.1322999 +1  120.0402404 +1     7     4    22
  H     1.14312202 +1  108.9998456 +1 -115.9491295 +1    11     8     1
  H     1.10357012 +1  113.8741685 +1  128.5601879 +1    11     8    24
  H     1.14320021 +1  108.9732644 +1  128.4724620 +1    11     8    25
  H     1.10097096 +1  108.1028598 +1  138.6387444 +1    12     9     2
  H     1.10142563 +1  108.1579682 +1 -120.2453756 +1    12     9    27
  H     1.10334338 +1  107.7697902 +1 -119.8237356 +1    12     9    28
  H     1.10352518 +1  113.6708583 +1    3.3999205 +1    13    10     1
  H     1.13540041 +1  108.2892672 +1 -126.1196599 +1    13    10    30
  H     1.13300661 +1  108.7437290 +1 -106.6137306 +1    13    10    31