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	hartrees
Energy at 0K	-2224.480124
Energy at 298.15K
HF Energy	-2224.480124
Nuclear repulsion energy	296.501879

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'	643	643	0.00	15.71	0.04	0.08
2	A₂"	196	196	56.81	0.00	0.75	0.86
3	E'	727	727	103.86	1.95	0.75	0.86
3	E'	727	727	103.87	1.95	0.75	0.86
4	E'	180	180	28.40	0.76	0.75	0.86
4	E'	180	180	28.40	0.76	0.75	0.86

Atom	x (Å)	y (Å)
Ga1	0.000	0.000
F2	0.000	1.744
F3	1.511	-0.872
F4	-1.511	-0.872

	Ga1	F2	F3	F4
Ga1		1.7442	1.7442	1.7442
F2	1.7442		3.0211	3.0211
F3	1.7442	3.0211		3.0211
F4	1.7442	3.0211	3.0211

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: TPSSh/daug-cc-pVDZ

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	1.234
2	F	-0.411
3	F	-0.411
4	F	-0.411

<r²>	102.348
(<r²>)^1/2	10.117

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

using model chemistry: TPSSh/daug-cc-pVDZ

States and conformations

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