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	hartrees
Energy at 0K	-3306.179247
Energy at 298.15K
HF Energy	-3306.179247
Nuclear repulsion energy	521.489403

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'	380	364	0.00	25.26	0.05	0.10
2	A₂"	141	135	12.36	0.00	0.75	0.86
3	E'	469	449	91.75	3.24	0.75	0.86
3	E'	469	449	91.74	3.25	0.75	0.86
4	E'	123	118	7.62	1.85	0.75	0.86
4	E'	123	118	7.62	1.85	0.75	0.86

Atom	x (Å)	y (Å)
Ga1	0.000	0.000
Cl2	0.000	2.112
Cl3	1.829	-1.056
Cl4	-1.829	-1.056

	Ga1	Cl2	Cl3	Cl4
Ga1		2.1122	2.1122	2.1122
Cl2	2.1122		3.6585	3.6585
Cl3	2.1122	3.6585		3.6585
Cl4	2.1122	3.6585	3.6585

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
Cl2	Ga1	Cl3	120.000		Cl2	Ga1	Cl4	120.000
Cl3	Ga1	Cl4	120.000

All results from a given calculation for GaCl₃ (Gallium trichloride)

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	0.221
2	Cl	-0.074
3	Cl	-0.074
4	Cl	-0.074

<r²>	261.670
(<r²>)^1/2	16.176

All results from a given calculation for GaCl3 (Gallium trichloride)

using model chemistry: B1B95/aug-cc-pVTZ

States and conformations

All results from a given calculation for GaCl₃ (Gallium trichloride)