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	hartrees
Energy at 0K	-212.847478
Energy at 298.15K
HF Energy	-212.847478
Nuclear repulsion energy	53.073219

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	780	706	0.00	3.26	0.12	0.21
2	A_g	418	378	0.00	0.24	0.50	0.67
3	B_1u	737	667	229.47	0.00	0.00	0.00
4	B_2u	670	607	290.03	0.00	0.00	0.00
5	B_3g	657	595	0.00	0.17	0.75	0.86
6	B_3u	324	293	234.40	0.00	0.00	0.00

Atom	y (Å)	z (Å)
Li1	1.117	0.000
Li2	-1.117	0.000
F3	0.000	1.260
F4	0.000	-1.260

	Li1	Li2	F3	F4
Li1		2.2340	1.6841	1.6841
Li2	2.2340		1.6841	1.6841
F3	1.6841	1.6841		2.5206
F4	1.6841	1.6841	2.5206

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
Li1	F3	Li2	83.101		Li1	F4	Li2	83.101
F3	Li1	F4	96.899		F3	Li2	F4	96.899

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

using model chemistry: HF/3-21G

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	0.569
2	Li	0.569
3	F	-0.569
4	F	-0.569

<r²>	44.755
(<r²>)^1/2	6.690

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

using model chemistry: HF/3-21G

States and conformations

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