Accuracy

V(IV)O3N3 (CAGSAE) r   3047 V(IV)O3N3 (CAGSAE) (Geo)

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    #  Species Formula
  3037 Vanadium(V) tri-ethoxide oxideC6H15O4V
  3038 VC10(+) (BOBHIJ) (Geo)C14H14O4V
  3039 VC10(+) (BOBHIJ)C14H14O4V
  3040 V(V)O4N2(-) (BALLIJ) (Geo)C18H12N2O4V
  3041 V(V)O4N2(-) (BALLIJ)C18H12N2O4V
  3042 V(IV)O5 (ACACVO) (Geo)C10H14O5V
  3043 Vanadium(V) diacetylacetonate oxideC10H14O5V
  3044 V(IV)O6(2-) (BOBWOE) (Geo)C12H8O5V
  3045 V(IV)O6(2-) (BOBWOE)C12H8O5V
  3046 V(IV)O5N (CUCWUS) (Geo)C15H19NO5V
  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


REF: The Cambridge Structural Database: a quarter of a million crystal structures and rising. F. H. Allen, Acta Cryst. B58, 380-388, (2002)
  
 UHF PM7
V(IV)O3N3 (CAGSAE)
 <V-O> <V-O(C)><O-V-O> <><><> <><><> <><><> <V-N><><> <V-N'> GR=CCDC
  V     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  O     1.59549200 +1    0.0000000 +0    0.0000000 +0     1     0     0
  O     1.99083800 +1  101.1077400 +1    0.0000000 +0     1     2     0
  O     1.88843877 +1  101.4506204 +1  105.2952283 +1     1     2     3
  O     2.22119851 +1  151.7871543 +1 -162.9885593 +1     3     1     2
  O     2.22835283 +1  155.5375743 +1 -175.3412035 +1     4     1     2
  N     2.32895700 +1  174.0539173 +1  -55.4992816 +1     1     2     4
  N     2.10925200 +1  101.4974371 +1  167.6399885 +1     1     2     4
  N     2.16528329 +1  101.9055395 +1  -78.0084339 +1     1     2     8
  C     1.35854549 +1  124.4212927 +1   71.7054308 +1     8     1     2
  C     1.39023194 +1  122.1732895 +1  174.3615744 +1    10     8     1
  C     1.40868023 +1  118.9323177 +1    0.1387181 +1    11    10     8
  C     1.37499478 +1  119.9687985 +1    1.6787330 +1    12    11    10
  C     1.39271265 +1  116.1843373 +1  177.8880148 +1     8     1    10
  C     1.39048523 +1  114.4364449 +1  110.0337742 +1     9     1     2
  C     1.42518340 +1  119.7240053 +1  172.6600557 +1    15     9     1
  C     1.37450779 +1  119.5733881 +1    2.8181965 +1    16    15     9
  C     1.40968467 +1  120.0138645 +1    0.1312634 +1    17    16    15
  C     1.35512855 +1  125.9560785 +1  176.9802427 +1     9     1    15
  C     1.20661070 +1   28.5814693 +1  -28.1625041 +1     5     3     1
  C     1.49200580 +1  110.2151188 +1  -45.5658217 +1     7     1     2
  C     1.49031612 +1  107.0968835 +1  121.2946148 +1     7     1    21
  C     1.20240430 +1   28.9210662 +1  -10.9835567 +1     6     4     1
  H     1.10812190 +1  116.3636797 +1 -179.5071782 +1    10     8    11
  H     1.08417983 +1  120.4820250 +1 -179.9206360 +1    11    10    12
  H     1.09014371 +1  119.3552544 +1  179.5182444 +1    12    11    13
  H     1.08531305 +1  121.2906001 +1  178.8093852 +1    13    12    11
  H     1.08530084 +1  119.0993109 +1  179.0730474 +1    16    15    17
  H     1.08989846 +1  120.6969390 +1  179.4969079 +1    17    16    18
  H     1.08325932 +1  120.5232512 +1  178.2194973 +1    18    17    16
  H     1.10483877 +1  116.1883312 +1    6.4171905 +1    19     9     1
  H     1.03837827 +1  109.1237468 +1  118.6138325 +1     7     1    22
  H     1.11450939 +1  112.3252328 +1  105.6755912 +1    21     7     1
  H     1.11136072 +1  111.6321013 +1  119.9005797 +1    21     7    33
  H     1.11174555 +1  113.3701629 +1 -149.0827763 +1    22     7     1
  H     1.11473552 +1  110.6209098 +1 -119.5184163 +1    22     7    35