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	hartrees
Energy at 0K	-214.793012
Energy at 298.15K
HF Energy	-214.793012
Nuclear repulsion energy	51.036535

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	652	644	0.00	5.50	0.07	0.13
2	A_g	358	354	0.00	0.46	0.25	0.40
3	B_1u	652	644	263.25	0.00	0.07	0.00
4	B_2u	559	552	273.31	0.00	0.00	0.00
5	B_3g	540	534	0.00	0.97	0.75	0.86
6	B_3u	284	280	189.31	0.00	0.00	0.00

Atom	y (Å)	z (Å)
Li1	1.117	0.000
Li2	-1.117	0.000
F3	0.000	1.334
F4	0.000	-1.334

	Li1	Li2	F3	F4
Li1		2.2348	1.7402	1.7402
Li2	2.2348		1.7402	1.7402
F3	1.7402	1.7402		2.6682
F4	1.7402	1.7402	2.6682

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
Li1	F3	Li2	79.896		Li1	F4	Li2	79.896
F3	Li1	F4	100.104		F3	Li2	F4	100.104

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

using model chemistry: PBEPBE/Def2TZVPP

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	0.685
2	Li	0.685
3	F	-0.685
4	F	-0.685

<r²>	48.944
(<r²>)^1/2	6.996

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

using model chemistry: PBEPBE/Def2TZVPP

States and conformations

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