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	hartrees
Energy at 0K	-211.799569
Energy at 298.15K
HF Energy	-211.799569
Nuclear repulsion energy	55.324414

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	898	898	0.00	19.21	0.10	0.19
2	A_g	430	430	0.00	0.89	0.74	0.85
3	B_1u	856	856	101.96	0.00	0.00	0.00
4	B_2u	854	854	199.61	0.00	0.00	0.00
5	B_3g	813	813	0.00	0.00	0.75	0.86
6	B_3u	249	249	69.05	0.00	0.00	0.00

Atom	y (Å)	z (Å)
Li1	1.093	0.000
Li2	-1.093	0.000
F3	0.000	1.197
F4	0.000	-1.197

	Li1	Li2	F3	F4
Li1		2.1862	1.6214	1.6214
Li2	2.1862		1.6214	1.6214
F3	1.6214	1.6214		2.3950
F4	1.6214	1.6214	2.3950

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
Li1	F3	Li2	84.783		Li1	F4	Li2	84.783
F3	Li1	F4	95.217		F3	Li2	F4	95.217

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

using model chemistry: wB97X-D/STO-3G

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	0.111
2	Li	0.111
3	F	-0.111
4	F	-0.111

<r²>	42.050
(<r²>)^1/2	6.485

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

using model chemistry: wB97X-D/STO-3G

States and conformations

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