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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 AsF3 (Arsenic trifluoride)
1A1 C3V
1910171554
InChI=1S/AsF3/c2-1(3)4 INChIKey=JCMGUODNZMETBM-UHFFFAOYSA-N
QCISD/6-31G
Point group is C3v
Atom |
Internal |
|
Principal |
x (Å) |
y (Å) |
z (Å) |
|
a (Å) |
b (Å) |
c (Å) |
As1 |
0.0000 |
0.0000 |
0.4121 |
|
0.0000 |
-0.0000 |
0.4121 |
F2 |
0.0000 |
1.5085 |
-0.5036 |
|
0.0000 |
1.5085 |
-0.5036 |
F3 |
1.3064 |
-0.7543 |
-0.5036 |
|
1.3064 |
-0.7543 |
-0.5036 |
F4 |
-1.3064 |
-0.7543 |
-0.5036 |
|
-1.3064 |
-0.7543 |
-0.5036 |
Atom - Atom Distances (Å)
|
As1 |
F2 |
F3 |
F4 |
As1 |
| 1.7647 |
1.7647 |
1.7647 |
F2 |
1.7647 |
| 2.6129 |
2.6129 |
F3 |
1.7647 |
2.6129 |
| 2.6129 |
F4 |
1.7647 |
2.6129 |
2.6129 |
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Maximum atom distance is 2.6129Å
between atoms F3 and F4.
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 |
atom2 |
atom3 |
angle |
|
atom1 |
atom2 |
atom3 |
angle |
F2 |
As1 |
F3 |
95.515 |
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F2 |
As1 |
F4 |
95.515 |
F3 |
As1 |
F4 |
95.515 |
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For information on specific bond angles or dihedrals
see the geometry comparison page in section
Comparisons > Geometry > Bonds, angles.