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Geometry for BrONO (Bromine nitrite) 1A' CS trans

1910171554
InChI=1S/BrNO2/c1-4-2-3 INChIKey=ORQUYLREYNLBRU-UHFFFAOYSA-N

MP2/LANL2DZ


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
Br1 -0.8645 -0.7655 0.0000   1.1535 0.0534 0.0000
O2 0.0000 1.0130 0.0000   -0.6357 -0.7886 0.0000
N3 1.7028 0.6799 0.0000   -1.7524 0.5393 0.0000
O4 2.2925 1.7411 0.0000   -2.8775 0.0832 0.0000
Atom - Atom Distances (Å)
  Br1 O2 N3 O4
Br1 1.9775 2.9463 4.0311
O2 1.9775 1.7351 2.4053
N3 2.9463 1.7351 1.2140
O4 4.0311 2.4053 1.2140
Maximum atom distance is 4.0311Å between atoms Br1 and O4.
picture of Bromine nitrite
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
Br1 O2 N3 104.858 O2 N3 O4 107.991

For information on specific bond angles or dihedrals see the geometry comparison page in section Comparisons > Geometry > Bonds, angles.