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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
B3LYP/aug-cc-pVTZ
Point group is Cs
Atom |
Internal |
|
Principal |
x (Å) |
y (Å) |
z (Å) |
|
a (Å) |
b (Å) |
c (Å) |
N1 |
0.0575 |
0.7646 |
0.0000 |
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0.7667 |
0.0086 |
0.0000 |
O2 |
0.0575 |
-0.5590 |
0.0000 |
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-0.5542 |
0.0930 |
0.0000 |
H3 |
-0.8618 |
-0.8798 |
0.0000 |
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-0.9329 |
-0.8040 |
0.0000 |
Atom - Atom Distances (Å)
|
N1 |
O2 |
H3 |
N1 |
|
1.3236 |
1.8838 |
O2 |
1.3236 |
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0.9736 |
H3 |
1.8838 |
0.9736 |
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Maximum atom distance is 1.8838Å
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 |
109.236 |
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For information on specific bond angles or dihedrals
see the geometry comparison page in section
Comparisons > Geometry > Bonds, angles.