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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 N2F2 (Dinitrogen difluoride, (E)-)
1Ag C2H
1910171554
InChI=1S/F2N2/c1-3-4-2/b4-3+ INChIKey=DUQAODNTUBJRGF-ONEGZZNKSA-N
QCISD/6-311G**
Point group is C2h
Atom |
Internal |
|
Principal |
x (Å) |
y (Å) |
z (Å) |
|
a (Å) |
b (Å) |
c (Å) |
F1 |
0.5931 |
1.5348 |
0.0000 |
|
1.1602 |
1.1667 |
0.0000 |
N2 |
0.5931 |
0.1632 |
0.0000 |
|
-0.0925 |
0.6081 |
0.0000 |
N3 |
-0.5931 |
-0.1632 |
0.0000 |
|
0.0925 |
-0.6081 |
0.0000 |
F4 |
-0.5931 |
-1.5348 |
0.0000 |
|
-1.1602 |
-1.1667 |
0.0000 |
Atom - Atom Distances (Å)
|
F1 |
N2 |
N3 |
F4 |
F1 |
|
1.3716 |
2.0712 |
3.2907 |
N2 |
1.3716 |
|
1.2302 |
2.0712 |
N3 |
2.0712 |
1.2302 |
|
1.3716 |
F4 |
3.2907 |
2.0712 |
1.3716 |
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Maximum atom distance is 3.2907Å
between atoms F1 and F4.
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 |
atom2 |
atom3 |
angle |
|
atom1 |
atom2 |
atom3 |
angle |
F1 |
N2 |
N3 |
105.385 |
|
N2 |
N3 |
F4 |
105.385 |
For information on specific bond angles or dihedrals
see the geometry comparison page in section
Comparisons > Geometry > Bonds, angles.