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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
B2PLYP=FULLultrafine/aug-cc-pVDZ
Point group is Cs
| Atom |
Internal |
|
Principal |
| x (Å) |
y (Å) |
z (Å) |
|
a (Å) |
b (Å) |
c (Å) |
| F1 |
1.3174 |
0.3704 |
0.0000 |
|
1.2690 |
-0.5124 |
0.0000 |
| O2 |
0.0000 |
0.9378 |
0.0000 |
|
0.5733 |
0.7421 |
0.0000 |
| N3 |
-1.0172 |
-0.1450 |
0.0000 |
|
-0.8936 |
0.5071 |
0.0000 |
| O4 |
-0.5921 |
-1.2276 |
0.0000 |
|
-1.2191 |
-0.6094 |
0.0000 |
Atom - Atom Distances (Å)
| |
F1 |
O2 |
N3 |
O4 |
| F1 |
|
1.4344 |
2.3908 |
2.4899 |
| O2 |
1.4344 |
|
1.4856 |
2.2448 |
| N3 |
2.3908 |
1.4856 |
|
1.1630 |
| O4 |
2.4899 |
2.2448 |
1.1630 |
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Maximum atom distance is 2.4899Å
between atoms F1 and O4.
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
| atom1 |
atom2 |
atom3 |
angle |
|
atom1 |
atom2 |
atom3 |
angle |
|
F1 |
O2 |
N3 |
109.909 |
|
O2 |
N3 |
O4 |
115.353 |
For information on specific bond angles or dihedrals
see the geometry comparison page in section
Comparisons > Geometry > Bonds, angles.