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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/6-311G**
Point group is Cs
| Atom |
Internal |
|
Principal |
| x (Å) |
y (Å) |
z (Å) |
|
a (Å) |
b (Å) |
c (Å) |
| F1 |
1.3059 |
0.3518 |
0.0000 |
|
-1.2214 |
0.5807 |
0.0000 |
| O2 |
0.0000 |
0.8924 |
0.0000 |
|
-0.5796 |
-0.6786 |
0.0000 |
| N3 |
-0.9820 |
-0.1032 |
0.0000 |
|
0.8137 |
-0.5593 |
0.0000 |
| O4 |
-0.6099 |
-1.1979 |
0.0000 |
|
1.2417 |
0.5147 |
0.0000 |
Atom - Atom Distances (Å)
| |
F1 |
O2 |
N3 |
O4 |
| F1 |
|
1.4134 |
2.3326 |
2.4640 |
| O2 |
1.4134 |
|
1.3984 |
2.1774 |
| N3 |
2.3326 |
1.3984 |
|
1.1562 |
| O4 |
2.4640 |
2.1774 |
1.1562 |
|
Maximum atom distance is 2.4640Å
between atoms F1 and O4.
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
| atom1 |
atom2 |
atom3 |
angle |
|
atom1 |
atom2 |
atom3 |
angle |
|
F1 |
O2 |
N3 |
112.115 |
|
O2 |
N3 |
O4 |
116.622 |
For information on specific bond angles or dihedrals
see the geometry comparison page in section
Comparisons > Geometry > Bonds, angles.