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	hartrees
Energy at 0K	-214.904852
Energy at 298.15K
HF Energy	-214.904852
Nuclear repulsion energy	51.732439

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	698	698	0.00	4.33	0.01	0.02
2	A_g	371	371	0.00	0.33	0.20	0.33
3	B_1u	715	715	288.37	0.00	0.00	0.00
4	B_2u	603	603	278.29	0.00	0.00	0.00
5	B_3g	610	610	0.00	0.39	0.75	0.86
6	B_3u	273	273	198.78	0.00	0.00	0.00

Atom	y (Å)	z (Å)
Li1	1.103	0.000
Li2	-1.103	0.000
F3	0.000	1.316
F4	0.000	-1.316

	Li1	Li2	F3	F4
Li1		2.2062	1.7170	1.7170
Li2	2.2062		1.7170	1.7170
F3	1.7170	1.7170		2.6316
F4	1.7170	1.7170	2.6316

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
Li1	F3	Li2	79.950		Li1	F4	Li2	79.950
F3	Li1	F4	100.050		F3	Li2	F4	100.050

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

using model chemistry: M06-2X/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	Li	0.484
2	Li	0.484
3	F	-0.484
4	F	-0.484

<r²>	47.597
(<r²>)^1/2	6.899

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

using model chemistry: M06-2X/daug-cc-pVDZ

States and conformations

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