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	hartrees
Energy at 0K	-2224.622849
Energy at 298.15K
HF Energy	-2224.622849
Nuclear repulsion energy	298.569852

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'	664	634	0.00	9.15	0.07	0.12
2	A₂"	202	193	62.13	0.00	0.75	0.86
3	E'	755	721	90.18	1.54	0.75	0.86
3	E'	755	721	90.17	1.54	0.75	0.86
4	E'	185	176	32.17	0.88	0.75	0.86
4	E'	185	176	32.16	0.88	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		1.7321	1.7321	1.7321
F2	1.7321		3.0001	3.0001
F3	1.7321	3.0001		3.0001
F4	1.7321	3.0001	3.0001

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: mPW1PW91/6-311G*

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	1.388
2	F	-0.463
3	F	-0.463
4	F	-0.463

<r²>	101.038
(<r²>)^1/2	10.052

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

using model chemistry: mPW1PW91/6-311G*

States and conformations

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