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	hartrees
Energy at 0K	-2196.838346
Energy at 298.15K
HF Energy	-2196.838346
Nuclear repulsion energy	318.360482

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'	674	616	0.00	7.06	0.03	0.06
2	A₂"	128	117	0.88	0.00	0.75	0.86
3	E'	382	349	5.53	2.47	0.75	0.86
3	E'	382	349	5.53	2.47	0.75	0.86
4	E'	304i	277i	2.96	0.05	0.75	0.86
4	E'	304i	277i	2.96	0.05	0.75	0.86

Atom	x (Å)	y (Å)
Ga1	0.000	0.000
F2	0.000	1.624
F3	1.407	-0.812
F4	-1.407	-0.812

	Ga1	F2	F3	F4
Ga1		1.6245	1.6245	1.6245
F2	1.6245		2.8136	2.8136
F3	1.6245	2.8136		2.8136
F4	1.6245	2.8136	2.8136

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: PBEPBE/STO-3G

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	0.461
2	F	-0.154
3	F	-0.154
4	F	-0.154

<r²>	88.853
(<r²>)^1/2	9.426

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

using model chemistry: PBEPBE/STO-3G

States and conformations

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