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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 CNF (iso cyanogen fluoride)
1Σ C*V
1910171554
InChI=1S/CFN/c1-3-2 INChIKey=
BLYP/6-31G(2df,p)
Point group is C∞v
Atom |
Internal |
x (Å) |
y (Å) |
z (Å) |
C1 |
0.0000 |
0.0000 |
-1.4104 |
N2 |
0.0000 |
0.0000 |
-0.2169 |
F3 |
0.0000 |
0.0000 |
1.1089 |
Atom - Atom Distances (Å)
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C1 |
N2 |
F3 |
C1 |
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1.1935 |
2.5193 |
N2 |
1.1935 |
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1.3258 |
F3 |
2.5193 |
1.3258 |
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Maximum atom distance is 2.5193Å
between atoms C1 and F3.
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 |
atom2 |
atom3 |
angle |
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atom1 |
atom2 |
atom3 |
angle |
C1 |
N2 |
F3 |
180.000 |
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For information on specific bond angles or dihedrals
see the geometry comparison page in section
Comparisons > Geometry > Bonds, angles.