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	hartrees
Energy at 0K	-214.763601
Energy at 298.15K
HF Energy	-214.763601
Nuclear repulsion energy	51.175752

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	680	673	0.00	9.11	0.07	0.13
2	A_g	358	354	0.00	0.43	0.46	0.63
3	B_1u	685	678	225.77	0.00	0.00	0.00
4	B_2u	578	572	265.36	0.00	0.00	0.00
5	B_3g	570	564	0.00	0.93	0.75	0.86
6	B_3u	282	279	174.83	0.00	0.00	0.00

Atom	y (Å)	z (Å)
Li1	1.115	0.000
Li2	-1.115	0.000
F3	0.000	1.330
F4	0.000	-1.330

	Li1	Li2	F3	F4
Li1		2.2299	1.7356	1.7356
Li2	2.2299		1.7356	1.7356
F3	1.7356	1.7356		2.6603
F4	1.7356	1.7356	2.6603

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
Li1	F3	Li2	79.939		Li1	F4	Li2	79.939
F3	Li1	F4	100.061		F3	Li2	F4	100.061

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

using model chemistry: PBEPBEultrafine/6-311G*

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	0.525
2	Li	0.525
3	F	-0.525
4	F	-0.525

<r²>	48.524
(<r²>)^1/2	6.966

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

using model chemistry: PBEPBEultrafine/6-311G*

States and conformations

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