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	hartrees
Energy at 0K	-214.970238
Energy at 298.15K
HF Energy	-214.970238
Nuclear repulsion energy	51.513751

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	704	679	0.00	5.05	0.05	0.09
2	A_g	370	357	0.00	0.09	0.09	0.17
3	B_1u	697	673	233.12	0.00	0.00	0.00
4	B_2u	580	559	277.99	0.00	0.00	0.00
5	B_3g	565	545	0.00	1.27	0.75	0.86
6	B_3u	297	287	184.27	0.00	0.00	0.00

Atom	y (Å)	z (Å)
Li1	1.113	0.000
Li2	-1.113	0.000
F3	0.000	1.319
F4	0.000	-1.319

	Li1	Li2	F3	F4
Li1		2.2256	1.7255	1.7255
Li2	2.2256		1.7255	1.7255
F3	1.7255	1.7255		2.6374
F4	1.7255	1.7255	2.6374

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
Li1	F3	Li2	80.318		Li1	F4	Li2	80.318
F3	Li1	F4	99.682		F3	Li2	F4	99.682

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

using model chemistry: B3LYPultrafine/6-31G(2df,p)

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	0.347
2	Li	0.347
3	F	-0.347
4	F	-0.347

<r²>	47.993
(<r²>)^1/2	6.928

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

using model chemistry: B3LYPultrafine/6-31G(2df,p)

States and conformations

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