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	hartrees
Energy at 0K	-2222.473901
Energy at 298.15K
HF Energy	-2222.473901
Nuclear repulsion energy	295.375058

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'	665	630	0.00	11.39	0.06	0.11
2	A₂"	183	173	68.74	0.00	0.75	0.86
3	E'	770	729	67.84	1.72	0.75	0.86
3	E'	770	729	67.84	1.72	0.75	0.86
4	E'	192	182	33.38	1.55	0.75	0.86
4	E'	192	182	33.38	1.55	0.75	0.86

Atom	x (Å)	y (Å)
Ga1	0.000	0.000
F2	0.000	1.751
F3	1.516	-0.875
F4	-1.516	-0.875

	Ga1	F2	F3	F4
Ga1		1.7509	1.7509	1.7509
F2	1.7509		3.0326	3.0326
F3	1.7509	3.0326		3.0326
F4	1.7509	3.0326	3.0326

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: mPW1PW91/6-31G

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	1.409
2	F	-0.470
3	F	-0.470
4	F	-0.470

<r²>	103.111
(<r²>)^1/2	10.154

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

using model chemistry: mPW1PW91/6-31G

States and conformations

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