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	hartrees
Energy at 0K	-2222.252248
Energy at 298.15K
HF Energy	-2222.252248
Nuclear repulsion energy	299.961455

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)	Raman Act (Å⁴/u)	Dep P	Dep U
1	A₁'	703	673	0.00	9.77	0.04	0.08
2	A₂"	191	182	55.49	0.00	0.75	0.86
3	E'	799	764	87.82	1.05	0.75	0.86
3	E'	799	764	87.82	1.05	0.75	0.86
4	E'	113	108	28.59	0.51	0.75	0.86
4	E'	113	108	28.59	0.51	0.75	0.86

Atom	x (Å)	y (Å)
Ga1	0.000	0.000
F2	0.000	1.724
F3	1.493	-0.862
F4	-1.493	-0.862

	Ga1	F2	F3	F4
Ga1		1.7241	1.7241	1.7241
F2	1.7241		2.9862	2.9862
F3	1.7241	2.9862		2.9862
F4	1.7241	2.9862	2.9862

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
F2	Ga1	F3	120.000		F2	Ga1	F4	120.000
F3	Ga1	F4	120.000

All results from a given calculation for GaF₃ (Gallium trifluoride)

using model chemistry: PBE1PBE/6-31G(2df,p)

States and conformations

	Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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Number	Element	Mulliken
1	Ga	0.794
2	F	-0.265
3	F	-0.265
4	F	-0.265

<r²>	99.965
(<r²>)^1/2	9.998

All results from a given calculation for GaF3 (Gallium trifluoride)

using model chemistry: PBE1PBE/6-31G(2df,p)

States and conformations

All results from a given calculation for GaF₃ (Gallium trifluoride)