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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 HNO2 (Nitrous acid)
1A' CS
1910171554
InChI=1S/HNO2/c2-1-3/h(H,2,3) INChIKey=IOVCWXUNBOPUCH-UHFFFAOYSA-N
B97D3/cc-pVTZ
Point group is Cs
| Atom |
Internal |
|
Principal |
| x (Å) |
y (Å) |
z (Å) |
|
a (Å) |
b (Å) |
c (Å) |
| H1 |
1.7681 |
-0.2170 |
0.0000 |
|
-1.7145 |
-0.4837 |
0.0000 |
| O2 |
0.8976 |
-0.6489 |
0.0000 |
|
-1.0787 |
0.2513 |
0.0000 |
| N3 |
0.0000 |
0.5337 |
0.0000 |
|
0.2064 |
-0.4922 |
0.0000 |
| O4 |
-1.1186 |
0.2090 |
0.0000 |
|
1.1124 |
0.2398 |
0.0000 |
Atom - Atom Distances (Å)
| |
H1 |
O2 |
N3 |
O4 |
| H1 |
|
0.9718 |
1.9209 |
2.9180 |
| O2 |
0.9718 |
|
1.4847 |
2.1912 |
| N3 |
1.9209 |
1.4847 |
|
1.1648 |
| O4 |
2.9180 |
2.1912 |
1.1648 |
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Maximum atom distance is 2.9180Å
between atoms H1 and O4.
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
| atom1 |
atom2 |
atom3 |
angle |
|
atom1 |
atom2 |
atom3 |
angle |
|
O2 |
N3 |
O4 |
108.405 |
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Calculated Bond Angles (degrees) (Involving Hydrogens)
| atom1 |
atom2 |
atom3 |
angle |
|
atom1 |
atom2 |
atom3 |
angle |
|
H1 |
O2 |
N3 |
101.465 |
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For information on specific bond angles or dihedrals
see the geometry comparison page in section
Comparisons > Geometry > Bonds, angles.