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Computational Chemistry Comparison and Benchmark DataBase
Release 22 (May 2022) Standard Reference Database 101
National Institute of Standards and Technology
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Geometry for NO2 (Nitrogen dioxide)
2A1 C2V
1910171554
InChI=1S/NO2/c2-1-3 INChIKey=JCXJVPUVTGWSNB-UHFFFAOYSA-N
QCISD(T)=FULL/cc-pVDZ
Point group is C2v
| Atom |
Internal |
|
Principal |
| x (Å) |
y (Å) |
z (Å) |
|
a (Å) |
b (Å) |
c (Å) |
| N1 |
0.0000 |
0.0000 |
0.3282 |
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0.3282 |
0.0000 |
0.0000 |
| O2 |
0.0000 |
1.1124 |
-0.1436 |
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-0.1436 |
0.0000 |
1.1124 |
| O3 |
0.0000 |
-1.1124 |
-0.1436 |
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-0.1436 |
0.0000 |
-1.1124 |
Atom - Atom Distances (Å)
| |
N1 |
O2 |
O3 |
| N1 |
|
1.2083 |
1.2083 |
| O2 |
1.2083 |
| 2.2248 |
| O3 |
1.2083 |
2.2248 |
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Maximum atom distance is 2.2248Å
between atoms O2 and O3.
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
| atom1 |
atom2 |
atom3 |
angle |
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atom1 |
atom2 |
atom3 |
angle |
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O2 |
N1 |
O3 |
134.034 |
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For information on specific bond angles or dihedrals
see the geometry comparison page in section
Comparisons > Geometry > Bonds, angles.