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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 PF2 (Phosphorus difluoride)
1A1 C2V
1910171554
InChI=1S/F2P/c1-3-2 INChIKey=MSGYRGHIEBLFLX-UHFFFAOYSA-N
QCISD/6-311+G(3df,2p)
Point group is C2v
Atom |
Internal |
|
Principal |
x (Å) |
y (Å) |
z (Å) |
|
a (Å) |
b (Å) |
c (Å) |
P1 |
0.0000 |
0.0000 |
0.5671 |
|
0.5671 |
0.0000 |
0.0000 |
F2 |
0.0000 |
1.1997 |
-0.4726 |
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-0.4726 |
0.0000 |
1.1997 |
F3 |
0.0000 |
-1.1997 |
-0.4726 |
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-0.4726 |
0.0000 |
-1.1997 |
Atom - Atom Distances (Å)
|
P1 |
F2 |
F3 |
P1 |
| 1.5875 |
1.5875 |
F2 |
1.5875 |
| 2.3994 |
F3 |
1.5875 |
2.3994 |
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Maximum atom distance is 2.3994Å
between atoms F2 and F3.
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 |
atom2 |
atom3 |
angle |
|
atom1 |
atom2 |
atom3 |
angle |
F2 |
P1 |
F3 |
98.172 |
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For information on specific bond angles or dihedrals
see the geometry comparison page in section
Comparisons > Geometry > Bonds, angles.