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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 NOH (Hydroxyimidogen)
3A" CS
1910171554
InChI=1S/HNO/c1-2/h2H INChIKey=JSGZKHJWRITPII-UHFFFAOYSA-N
B3PW91/3-21G*
Point group is Cs
Atom |
Internal |
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Principal |
x (Å) |
y (Å) |
z (Å) |
|
a (Å) |
b (Å) |
c (Å) |
N1 |
0.0596 |
0.8099 |
0.0000 |
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0.8042 |
0.1133 |
0.0000 |
O2 |
0.0596 |
-0.5965 |
0.0000 |
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-0.5991 |
0.0199 |
0.0000 |
H3 |
-0.8943 |
-0.8978 |
0.0000 |
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-0.8364 |
-0.9519 |
0.0000 |
Atom - Atom Distances (Å)
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N1 |
O2 |
H3 |
N1 |
|
1.4064 |
1.9561 |
O2 |
1.4064 |
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1.0004 |
H3 |
1.9561 |
1.0004 |
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Maximum atom distance is 1.9561Å
between atoms N1 and H3.
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 |
N1 |
O2 |
H3 |
107.530 |
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For information on specific bond angles or dihedrals
see the geometry comparison page in section
Comparisons > Geometry > Bonds, angles.