|
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
B2PLYP=FULLultrafine/6-31G(2df,p)
Point group is Cs
Atom |
Internal |
|
Principal |
x (Å) |
y (Å) |
z (Å) |
|
a (Å) |
b (Å) |
c (Å) |
F1 |
-0.9582 |
-0.5834 |
0.0000 |
|
1.1189 |
0.0817 |
0.0000 |
N2 |
0.0000 |
0.5546 |
0.0000 |
|
-0.2531 |
-0.4934 |
0.0000 |
O3 |
1.0780 |
0.1711 |
0.0000 |
|
-1.0373 |
0.3398 |
0.0000 |
Atom - Atom Distances (Å)
|
F1 |
N2 |
O3 |
F1 |
|
1.4876 |
2.1715 |
N2 |
1.4876 |
|
1.1442 |
O3 |
2.1715 |
1.1442 |
|
Maximum atom distance is 2.1715Å
between atoms F1 and O3.
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 |
atom2 |
atom3 |
angle |
|
atom1 |
atom2 |
atom3 |
angle |
F1 |
N2 |
O3 |
110.518 |
|
For information on specific bond angles or dihedrals
see the geometry comparison page in section
Comparisons > Geometry > Bonds, angles.