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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
B3PW91/6-31+G**
Point group is Cs
Atom |
Internal |
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Principal |
x (Å) |
y (Å) |
z (Å) |
|
a (Å) |
b (Å) |
c (Å) |
F1 |
-0.9576 |
-0.6036 |
0.0000 |
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1.1170 |
0.1829 |
0.0000 |
N2 |
0.0000 |
0.5611 |
0.0000 |
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-0.2186 |
-0.5168 |
0.0000 |
O3 |
1.0773 |
0.1881 |
0.0000 |
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-1.0654 |
0.2464 |
0.0000 |
Atom - Atom Distances (Å)
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F1 |
N2 |
O3 |
F1 |
|
1.5078 |
2.1834 |
N2 |
1.5078 |
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1.1400 |
O3 |
2.1834 |
1.1400 |
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Maximum atom distance is 2.1834Å
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 |
110.325 |
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For information on specific bond angles or dihedrals
see the geometry comparison page in section
Comparisons > Geometry > Bonds, angles.