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	hartrees
Energy at 0K	-214.975310
Energy at 298.15K
HF Energy	-214.975310
Nuclear repulsion energy	51.561072

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	678	678	0.00	2.69	0.07	0.14
2	A_g	366	366	0.00	0.33	0.27	0.43
3	B_1u	696	696	284.93	0.00	0.00	0.00
4	B_2u	590	590	287.75	0.00	0.00	0.00
5	B_3g	582	582	0.00	0.53	0.75	0.86
6	B_3u	289	289	207.59	0.00	0.00	0.00

Atom	y (Å)	z (Å)
Li1	1.115	0.000
Li2	-1.115	0.000
F3	0.000	1.316
F4	0.000	-1.316

	Li1	Li2	F3	F4
Li1		2.2294	1.7246	1.7246
Li2	2.2294		1.7246	1.7246
F3	1.7246	1.7246		2.6319
F4	1.7246	1.7246	2.6319

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
Li1	F3	Li2	80.535		Li1	F4	Li2	80.535
F3	Li1	F4	99.465		F3	Li2	F4	99.465

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

using model chemistry: B1B95/Def2TZVPP

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	0.731
2	Li	0.731
3	F	-0.731
4	F	-0.731

<r²>	47.784
(<r²>)^1/2	6.913

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

using model chemistry: B1B95/Def2TZVPP

States and conformations

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