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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 FONO (Nitrosyl hypofluorite)
1A' CS cis
1910171554
InChI=1S/FNO2/c1-4-2-3 INChIKey=KIKPURRCWNPDFV-UHFFFAOYSA-N
wB97X-D/TZVP
Point group is Cs
Atom |
Internal |
|
Principal |
x (Å) |
y (Å) |
z (Å) |
|
a (Å) |
b (Å) |
c (Å) |
F1 |
1.3090 |
0.3609 |
0.0000 |
|
-1.2685 |
0.4844 |
0.0000 |
O2 |
0.0000 |
0.8942 |
0.0000 |
|
-0.5295 |
-0.7205 |
0.0000 |
N3 |
-0.9851 |
-0.1117 |
0.0000 |
|
0.8599 |
-0.4933 |
0.0000 |
O4 |
-0.6107 |
-1.2024 |
0.0000 |
|
1.2042 |
0.6072 |
0.0000 |
Atom - Atom Distances (Å)
|
F1 |
O2 |
N3 |
O4 |
F1 |
|
1.4135 |
2.3423 |
2.4757 |
O2 |
1.4135 |
|
1.4079 |
2.1837 |
N3 |
2.3423 |
1.4079 |
|
1.1531 |
O4 |
2.4757 |
2.1837 |
1.1531 |
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Maximum atom distance is 2.4757Å
between atoms F1 and O4.
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 |
atom2 |
atom3 |
angle |
|
atom1 |
atom2 |
atom3 |
angle |
F1 |
O2 |
N3 |
112.234 |
|
O2 |
N3 |
O4 |
116.656 |
For information on specific bond angles or dihedrals
see the geometry comparison page in section
Comparisons > Geometry > Bonds, angles.