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	hartrees
Energy at 0K	-2224.744428
Energy at 298.15K
HF Energy	-2224.744428
Nuclear repulsion energy	298.865633

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'	660	639	0.00	14.55	0.04	0.09
2	A₂"	199	193	59.14	0.00	0.75	0.86
3	E'	741	718	108.92	1.77	0.75	0.86
3	E'	741	718	108.92	1.77	0.75	0.86
4	E'	185	179	29.58	0.74	0.75	0.86
4	E'	185	179	29.58	0.74	0.75	0.86

Atom	x (Å)	y (Å)
Ga1	0.000	0.000
F2	0.000	1.730
F3	1.499	-0.865
F4	-1.499	-0.865

	Ga1	F2	F3	F4
Ga1		1.7304	1.7304	1.7304
F2	1.7304		2.9972	2.9972
F3	1.7304	2.9972		2.9972
F4	1.7304	2.9972	2.9972

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: B3LYP/aug-cc-pVQZ

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	1.652
2	F	-0.551
3	F	-0.551
4	F	-0.551

<r²>	101.069
(<r²>)^1/2	10.053

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

using model chemistry: B3LYP/aug-cc-pVQZ

States and conformations

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