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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 FNO (Nitrosyl fluoride)
1A' CS
1910171554
InChI=1S/FNO/c1-2-3 INChIKey=ZEIYBPGWHWECHV-UHFFFAOYSA-N
B2PLYP=FULLultrafine/6-31+G**
Point group is Cs
| Atom |
Internal |
|
Principal |
| x (Å) |
y (Å) |
z (Å) |
|
a (Å) |
b (Å) |
c (Å) |
| F1 |
-0.9666 |
-0.6412 |
0.0000 |
|
1.1430 |
0.1976 |
0.0000 |
| N2 |
0.0000 |
0.5756 |
0.0000 |
|
-0.2318 |
-0.5268 |
0.0000 |
| O3 |
1.0874 |
0.2177 |
0.0000 |
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-1.0830 |
0.2387 |
0.0000 |
Atom - Atom Distances (Å)
| |
F1 |
N2 |
O3 |
| F1 |
|
1.5540 |
2.2264 |
| N2 |
1.5540 |
|
1.1448 |
| O3 |
2.2264 |
1.1448 |
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Maximum atom distance is 2.2264Å
between atoms F1 and O3.
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
| atom1 |
atom2 |
atom3 |
angle |
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atom1 |
atom2 |
atom3 |
angle |
|
F1 |
N2 |
O3 |
110.246 |
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For information on specific bond angles or dihedrals
see the geometry comparison page in section
Comparisons > Geometry > Bonds, angles.