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	hartrees
Energy at 0K	-215.035409
Energy at 298.15K
HF Energy	-215.035409
Nuclear repulsion energy	51.518753

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	667	667	0.00	6.15	0.01	0.02
2	A_g	363	363	0.00	0.30	0.12	0.21
3	B_1u	667	667	288.30	0.00	0.01	0.02
4	B_2u	570	570	265.42	0.00	0.00	0.00
5	B_3g	555	555	0.00	0.39	0.75	0.86
6	B_3u	286	286	190.92	0.00	0.00	0.00

Atom	y (Å)	z (Å)
Li1	1.102	0.000
Li2	-1.102	0.000
F3	0.000	1.324
F4	0.000	-1.324

	Li1	Li2	F3	F4
Li1		2.2045	1.7228	1.7228
Li2	2.2045		1.7228	1.7228
F3	1.7228	1.7228		2.6482
F4	1.7228	1.7228	2.6482

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
Li1	F3	Li2	79.552		Li1	F4	Li2	79.552
F3	Li1	F4	100.448		F3	Li2	F4	100.448

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

using model chemistry: TPSSh/aug-cc-pVQZ

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	0.888
2	Li	0.888
3	F	-0.888
4	F	-0.888

<r²>	48.089
(<r²>)^1/2	6.935

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

using model chemistry: TPSSh/aug-cc-pVQZ

States and conformations

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