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	hartrees
Energy at 0K	-2224.106339
Energy at 298.15K
HF Energy	-2224.106339
Nuclear repulsion energy	298.629325

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'	658	632	0.00	10.02	0.06	0.12
2	A₂"	203	195	65.17	0.00	0.75	0.86
3	E'	744	714	108.32	1.78	0.75	0.86
3	E'	744	714	108.32	1.78	0.75	0.86
4	E'	186	178	32.95	1.00	0.75	0.86
4	E'	186	178	32.95	1.00	0.75	0.86

Atom	x (Å)	y (Å)
Ga1	0.000	0.000
F2	0.000	1.732
F3	1.500	-0.866
F4	-1.500	-0.866

	Ga1	F2	F3	F4
Ga1		1.7318	1.7318	1.7318
F2	1.7318		2.9995	2.9995
F3	1.7318	2.9995		2.9995
F4	1.7318	2.9995	2.9995

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: HSEh1PBE/TZVP

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	1.196
2	F	-0.399
3	F	-0.399
4	F	-0.399

<r²>	101.177
(<r²>)^1/2	10.059

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

using model chemistry: HSEh1PBE/TZVP

States and conformations

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