Accuracy
V(IV)O2N3 (ASAVAR) r
3088 V(IV)O2N3 (ASAVAR) (Geo)
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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)O2N3 (ASAVAR)
<V-O> <V-O'><O-V-O'> <V-N> GR=CCDC
V 0.00000000 +0 0.0000000 +0 0.0000000 +0 0 0 0
O 1.58482100 +1 0.0000000 +0 0.0000000 +0 1 0 0
O 1.95751900 +1 105.0228490 +1 0.0000000 +0 1 2 0
N 2.10174100 +1 101.1634930 +1 -101.5148700 +1 1 2 3
N -0.18906956 +1 -2.1815163 +1 0.0103800 +1 0 0 0
N -0.25483328 +1 -0.0449157 +1 -2.1986233 +1 0 0 0
N -2.23256659 +1 -0.2902989 +1 -0.3233509 +1 0 0 0
S -1.95598179 +1 2.7198412 +1 -0.0375639 +1 0 0 0
O -1.67031371 +1 4.1372359 +1 0.1130288 +1 0 0 0
O -2.45522117 +1 2.2795690 +1 -1.3776511 +1 0 0 0
O -2.65363564 +1 2.0424891 +1 1.0857369 +1 0 0 0
C -0.63814697 +1 0.5317360 +1 2.9674116 +1 0 0 0
C -0.74858640 +1 0.2020389 +1 4.3166971 +1 0 0 0
C -0.60997016 +1 -1.1424324 +1 4.7016410 +1 0 0 0
C -0.40254212 +1 -2.1161606 +1 3.7497364 +1 0 0 0
C -0.32386482 +1 -1.7536603 +1 2.3747280 +1 0 0 0
C -0.20875320 +1 -2.6888780 +1 1.3078958 +1 0 0 0
C -0.14718540 +1 -4.1010967 +1 1.5162172 +1 0 0 0
C -0.07538050 +1 -4.9514271 +1 0.4421950 +1 0 0 0
C -0.06376701 +1 -4.4255601 +1 -0.8667679 +1 0 0 0
C -0.11855398 +1 -3.0456593 +1 -1.0294085 +1 0 0 0
C 0.78501972 +1 0.3242783 +1 -2.9907305 +1 0 0 0
C 0.58792299 +1 1.0666670 +1 -4.1558939 +1 0 0 0
C -0.70414279 +1 1.4802710 +1 -4.4887881 +1 0 0 0
C -1.77555913 +1 1.1027504 +1 -3.6870173 +1 0 0 0
C -1.52299383 +1 0.3199186 +1 -2.5499206 +1 0 0 0
C -2.60410502 +1 -0.1218231 +1 -1.6291904 +1 0 0 0
C -3.91666695 +1 -0.3173399 +1 -2.0628654 +1 0 0 0
C -4.89661208 +1 -0.6017138 +1 -1.1081320 +1 0 0 0
C -4.54396879 +1 -0.6692839 +1 0.2325829 +1 0 0 0
C -3.19842437 +1 -0.4929818 +1 0.5979439 +1 0 0 0
H -0.76313846 +1 1.5774578 +1 2.6092040 +1 0 0 0
H -0.94629853 +1 0.9726862 +1 5.0523997 +1 0 0 0
H -0.67607609 +1 -1.4066520 +1 5.7570280 +1 0 0 0
H -0.30141062 +1 -3.1591897 +1 4.0293857 +1 0 0 0
H -0.15924250 +1 -4.4816297 +1 2.5328818 +1 0 0 0
H -0.02694555 +1 -6.0300016 +1 0.5837454 +1 0 0 0
H -0.00928249 +1 -5.0833894 +1 -1.7230213 +1 0 0 0
H -0.10986105 +1 -2.6004451 +1 -2.0335521 +1 0 0 0
H 1.79050270 +1 0.0070540 +1 -2.6632517 +1 0 0 0
H 1.43671175 +1 1.3456419 +1 -4.7755786 +1 0 0 0
H -0.86936365 +1 2.1142131 +1 -5.3620321 +1 0 0 0
H -2.78624616 +1 1.4773396 +1 -3.8696923 +1 0 0 0
H -4.17748834 +1 -0.2077178 +1 -3.1107538 +1 0 0 0
H -5.93204309 +1 -0.7446926 +1 -1.4171343 +1 0 0 0
H -5.29088376 +1 -0.8264601 +1 1.0065287 +1 0 0 0
H -2.89128184 +1 -0.4986182 +1 1.6564861 +1 0 0 0