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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 (hydrogen isocyanide cation)
2Σ C*V
1910171554
InChI=1S/CHN/c1-2/h2H/q+1 INChIKey=
B1B95/cc-pVTZ
Point group is C∞v
| Atom |
Internal |
| x (Å) |
y (Å) |
z (Å) |
| C1 |
0.0000 |
0.0000 |
-0.7174 |
| N2 |
0.0000 |
0.0000 |
0.4109 |
| H3 |
0.0000 |
0.0000 |
1.4281 |
Atom - Atom Distances (Å)
| |
C1 |
N2 |
H3 |
| C1 |
|
1.1284 |
2.1455 |
| N2 |
1.1284 |
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1.0171 |
| H3 |
2.1455 |
1.0171 |
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Maximum atom distance is 2.1455Å
between atoms C1 and H3.
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
| atom1 |
atom2 |
atom3 |
angle |
|
atom1 |
atom2 |
atom3 |
angle |
Calculated Bond Angles (degrees) (Involving Hydrogens)
| atom1 |
atom2 |
atom3 |
angle |
|
atom1 |
atom2 |
atom3 |
angle |
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C1 |
N2 |
H3 |
180.000 |
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For information on specific bond angles or dihedrals
see the geometry comparison page in section
Comparisons > Geometry > Bonds, angles.