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	hartrees
Energy at 0K	-2212.883598
Energy at 298.15K
HF Energy	-2212.883598
Nuclear repulsion energy	304.306056

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'	747	740	0.00	12.13	0.03	0.05
2	A₂"	177	175	39.17	0.00	0.75	0.86
3	E'	836	828	36.15	1.56	0.75	0.86
3	E'	836	828	36.15	1.56	0.75	0.86
4	E'	228	226	22.95	1.31	0.75	0.86
4	E'	228	226	22.95	1.31	0.75	0.86

Atom	x (Å)	y (Å)
Ga1	0.000	0.000
F2	0.000	1.699
F3	1.472	-0.850
F4	-1.472	-0.850

	Ga1	F2	F3	F4
Ga1		1.6995	1.6995	1.6995
F2	1.6995		2.9436	2.9436
F3	1.6995	2.9436		2.9436
F4	1.6995	2.9436	2.9436

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: PBEPBEultrafine/3-21G

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	1.013
2	F	-0.338
3	F	-0.338
4	F	-0.338

<r²>	97.551
(<r²>)^1/2	9.877

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

using model chemistry: PBEPBEultrafine/3-21G

States and conformations

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