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	hartrees
Energy at 0K	-214.794131
Energy at 298.15K
HF Energy	-214.794131
Nuclear repulsion energy	51.637643

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	700	672	0.00	4.00	0.09	0.17
2	A_g	367	352	0.00	0.34	0.47	0.64
3	B_1u	707	678	244.25	0.00	0.00	0.00
4	B_2u	598	574	280.17	0.00	0.00	0.00
5	B_3g	590	567	0.00	0.55	0.75	0.86
6	B_3u	291	279	193.62	0.00	0.00	0.00

Atom	y (Å)	z (Å)
Li1	1.111	0.000
Li2	-1.111	0.000
F3	0.000	1.315
F4	0.000	-1.315

	Li1	Li2	F3	F4
Li1		2.2218	1.7215	1.7215
Li2	2.2218		1.7215	1.7215
F3	1.7215	1.7215		2.6303
F4	1.7215	1.7215	2.6303

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
Li1	F3	Li2	80.374		Li1	F4	Li2	80.374
F3	Li1	F4	99.626		F3	Li2	F4	99.626

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

using model chemistry: HSEh1PBE/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	0.579
2	Li	0.579
3	F	-0.579
4	F	-0.579

<r²>	47.537
(<r²>)^1/2	6.895

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

using model chemistry: HSEh1PBE/6-311G*

States and conformations

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