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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
M06-2X/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 |
-0.9461 |
0.9073 |
0.0000 |
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0.9875 |
-0.8620 |
0.0000 |
N2 |
0.0631 |
0.5782 |
0.0000 |
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0.5704 |
0.1140 |
0.0000 |
O3 |
0.0631 |
-0.6194 |
0.0000 |
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-0.6225 |
0.0080 |
0.0000 |
Atom - Atom Distances (Å)
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H1 |
N2 |
O3 |
H1 |
|
1.0615 |
1.8301 |
N2 |
1.0615 |
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1.1976 |
O3 |
1.8301 |
1.1976 |
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Maximum atom distance is 1.8301Å
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 |
108.061 |
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For information on specific bond angles or dihedrals
see the geometry comparison page in section
Comparisons > Geometry > Bonds, angles.