|
Computational Chemistry Comparison and Benchmark DataBase
Release 22 (May 2022) Standard Reference Database 101
National Institute of Standards and Technology
|
|
|
|
You are here: Home > Geometry > Calculated > Calculated geometry OR Calculated > Geometry > Calculated geometry
|
Geometry for FNO (Nitrosyl fluoride)
1A' CS
1910171554
InChI=1S/FNO/c1-2-3 INChIKey=ZEIYBPGWHWECHV-UHFFFAOYSA-N
PBEPBE/Def2TZVPP
Point group is Cs
| Atom |
Internal |
|
Principal |
| x (Å) |
y (Å) |
z (Å) |
|
a (Å) |
b (Å) |
c (Å) |
| F1 |
-0.9644 |
-0.6452 |
0.0000 |
|
-1.1517 |
-0.1411 |
0.0000 |
| N2 |
0.0000 |
0.5721 |
0.0000 |
|
0.2579 |
0.5107 |
0.0000 |
| O3 |
1.0849 |
0.2253 |
0.0000 |
|
1.0700 |
-0.2881 |
0.0000 |
Atom - Atom Distances (Å)
| |
F1 |
N2 |
O3 |
| F1 |
|
1.5531 |
2.2265 |
| N2 |
1.5531 |
|
1.1390 |
| O3 |
2.2265 |
1.1390 |
|
Maximum atom distance is 2.2265Å
between atoms F1 and O3.
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
| atom1 |
atom2 |
atom3 |
angle |
|
atom1 |
atom2 |
atom3 |
angle |
|
F1 |
N2 |
O3 |
110.658 |
|
For information on specific bond angles or dihedrals
see the geometry comparison page in section
Comparisons > Geometry > Bonds, angles.