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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
QCISD/6-31G*
Point group is Cs
| Atom |
Internal |
|
Principal |
| x (Å) |
y (Å) |
z (Å) |
|
a (Å) |
b (Å) |
c (Å) |
| H1 |
1.7730 |
-0.1362 |
0.0000 |
|
-1.6569 |
-0.6455 |
0.0000 |
| O2 |
0.9008 |
-0.5784 |
0.0000 |
|
-1.0625 |
0.1310 |
0.0000 |
| N3 |
0.0000 |
0.5245 |
0.0000 |
|
0.2273 |
-0.4727 |
0.0000 |
| O4 |
-1.1224 |
0.1365 |
0.0000 |
|
1.0708 |
0.3633 |
0.0000 |
Atom - Atom Distances (Å)
| |
H1 |
O2 |
N3 |
O4 |
| H1 |
|
0.9779 |
1.8921 |
2.9082 |
| O2 |
0.9779 |
|
1.4241 |
2.1459 |
| N3 |
1.8921 |
1.4241 |
|
1.1876 |
| O4 |
2.9082 |
2.1459 |
1.1876 |
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Maximum atom distance is 2.9082Å
between atoms H1 and O4.
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
| atom1 |
atom2 |
atom3 |
angle |
|
atom1 |
atom2 |
atom3 |
angle |
|
O2 |
N3 |
O4 |
110.168 |
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Calculated Bond Angles (degrees) (Involving Hydrogens)
| atom1 |
atom2 |
atom3 |
angle |
|
atom1 |
atom2 |
atom3 |
angle |
|
H1 |
O2 |
N3 |
102.351 |
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For information on specific bond angles or dihedrals
see the geometry comparison page in section
Comparisons > Geometry > Bonds, angles.