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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 NF2 (Difluoroamino radical)
2B1 C2V
1910171554
InChI=1S/F2N/c1-3-2 INChIKey=BBZREMAMWBDNHH-UHFFFAOYSA-N
QCISD/6-31+G**
Point group is C2v
Atom |
Internal |
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Principal |
x (Å) |
y (Å) |
z (Å) |
|
a (Å) |
b (Å) |
c (Å) |
N1 |
0.0000 |
0.0000 |
0.6160 |
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0.6160 |
0.0000 |
0.0000 |
F2 |
0.0000 |
1.0722 |
-0.2395 |
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-0.2395 |
0.0000 |
1.0722 |
F3 |
0.0000 |
-1.0722 |
-0.2395 |
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-0.2395 |
0.0000 |
-1.0722 |
Atom - Atom Distances (Å)
|
N1 |
F2 |
F3 |
N1 |
|
1.3717 |
1.3717 |
F2 |
1.3717 |
| 2.1444 |
F3 |
1.3717 |
2.1444 |
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Maximum atom distance is 2.1444Å
between atoms F2 and F3.
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 |
atom2 |
atom3 |
angle |
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atom1 |
atom2 |
atom3 |
angle |
F2 |
N1 |
F3 |
102.826 |
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For information on specific bond angles or dihedrals
see the geometry comparison page in section
Comparisons > Geometry > Bonds, angles.