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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 HNO (Nitrosyl hydride)
1A' CS
1910171554
InChI=1S/HNO/c1-2/h1H INChIKey=ODUCDPQEXGNKDN-UHFFFAOYSA-N
QCISD/6-31G**
Point group is Cs
Atom |
Internal |
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Principal |
x (Å) |
y (Å) |
z (Å) |
|
a (Å) |
b (Å) |
c (Å) |
H1 |
-0.9437 |
0.9146 |
0.0000 |
|
0.8334 |
-1.0161 |
0.0000 |
N2 |
0.0629 |
0.5905 |
0.0000 |
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0.5937 |
0.0138 |
0.0000 |
O3 |
0.0629 |
-0.6310 |
0.0000 |
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-0.6237 |
0.1149 |
0.0000 |
Atom - Atom Distances (Å)
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H1 |
N2 |
O3 |
H1 |
|
1.0575 |
1.8445 |
N2 |
1.0575 |
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1.2215 |
O3 |
1.8445 |
1.2215 |
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Maximum atom distance is 1.8445Å
between atoms H1 and O3.
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 |
atom2 |
atom3 |
angle |
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atom1 |
atom2 |
atom3 |
angle |
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 |
atom2 |
atom3 |
angle |
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atom1 |
atom2 |
atom3 |
angle |
H1 |
N2 |
O3 |
107.848 |
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For information on specific bond angles or dihedrals
see the geometry comparison page in section
Comparisons > Geometry > Bonds, angles.