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	hartrees
Energy at 0K	-2224.884769
Energy at 298.15K
HF Energy	-2224.884769
Nuclear repulsion energy	300.433141

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'	673	645	0.00	12.69	0.04	0.08
2	A₂"	207	198	62.44	0.00	0.75	0.86
3	E'	755	724	111.37	1.57	0.75	0.86
3	E'	755	724	111.36	1.57	0.75	0.86
4	E'	187	179	30.82	0.67	0.75	0.86
4	E'	187	179	30.82	0.67	0.75	0.86

Atom	x (Å)	y (Å)
Ga1	0.000	0.000
F2	0.000	1.721
F3	1.491	-0.861
F4	-1.491	-0.861

	Ga1	F2	F3	F4
Ga1		1.7214	1.7214	1.7214
F2	1.7214		2.9815	2.9815
F3	1.7214	2.9815		2.9815
F4	1.7214	2.9815	2.9815

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: B1B95/aug-cc-pVTZ

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	1.369
2	F	-0.456
3	F	-0.456
4	F	-0.456

<r²>	100.068
(<r²>)^1/2	10.003

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

using model chemistry: B1B95/aug-cc-pVTZ

States and conformations

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