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	hartrees
Energy at 0K	-214.065672
Energy at 298.15K
HF Energy	-214.065672
Nuclear repulsion energy	51.819009

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)	Raman Act (Å⁴/u)	Dep P	Dep U
1	A_g	691	629	0.00	1.84	0.01	0.03
2	A_g	380	346	0.00	0.14	0.13	0.23
3	B_1u	701	638	317.50	0.00	0.00	0.00
4	B_2u	594	541	294.30	0.00	0.00	0.00
5	B_3g	583	531	0.00	0.17	0.75	0.86
6	B_3u	302	275	221.21	0.00	0.00	0.00

Atom	y (Å)	z (Å)
Li1	1.100	0.000
Li2	-1.100	0.000
F3	0.000	1.314
F4	0.000	-1.314

	Li1	Li2	F3	F4
Li1		2.1999	1.7138	1.7138
Li2	2.1999		1.7138	1.7138
F3	1.7138	1.7138		2.6285
F4	1.7138	1.7138	2.6285

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
Li1	F3	Li2	79.854		Li1	F4	Li2	79.854
F3	Li1	F4	100.146		F3	Li2	F4	100.146

All results from a given calculation for Li₂F₂ (Lithium fluoride dimer)

using model chemistry: HF/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	Li	0.795
2	Li	0.795
3	F	-0.795
4	F	-0.795

<r²>	47.274
(<r²>)^1/2	6.876

All results from a given calculation for Li2F2 (Lithium fluoride dimer)

using model chemistry: HF/aug-cc-pVTZ

States and conformations

All results from a given calculation for Li₂F₂ (Lithium fluoride dimer)