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	hartrees
Energy at 0K	-2197.505013
Energy at 298.15K
HF Energy	-2197.505013
Nuclear repulsion energy	319.933019

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'	692	692	0.00	7.05	0.02	0.04
2	A₂"	123	123	0.28	0.00	0.75	0.86
3	E'	404	404	5.29	2.24	0.75	0.86
3	E'	404	404	5.29	2.24	0.75	0.86
4	E'	320i	320i	3.96	0.07	0.75	0.86
4	E'	320i	320i	3.97	0.07	0.75	0.86

Atom	x (Å)	y (Å)
Ga1	0.000	0.000
F2	0.000	1.616
F3	1.400	-0.808
F4	-1.400	-0.808

	Ga1	F2	F3	F4
Ga1		1.6165	1.6165	1.6165
F2	1.6165		2.7998	2.7998
F3	1.6165	2.7998		2.7998
F4	1.6165	2.7998	2.7998

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: TPSSh/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	0.563
2	F	-0.188
3	F	-0.188
4	F	-0.188

<r²>	88.154
(<r²>)^1/2	9.389

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

using model chemistry: TPSSh/STO-3G

States and conformations

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