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	hartrees
Energy at 0K	-214.688008
Energy at 298.15K
HF Energy	-214.688008
Nuclear repulsion energy	51.369086

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	697	687	0.00	13.14	0.05	0.09
2	A_g	366	361	0.00	0.23	0.58	0.73
3	B_1u	694	684	203.51	0.00	0.00	0.00
4	B_2u	578	570	279.56	0.00	0.00	0.00
5	B_3g	571	563	0.00	1.24	0.75	0.86
6	B_3u	284	280	165.21	0.00	0.00	0.00

Atom	y (Å)	z (Å)
Li1	1.109	0.000
Li2	-1.109	0.000
F3	0.000	1.326
F4	0.000	-1.326

	Li1	Li2	F3	F4
Li1		2.2187	1.7288	1.7288
Li2	2.2187		1.7288	1.7288
F3	1.7288	1.7288		2.6518
F4	1.7288	1.7288	2.6518

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
Li1	F3	Li2	79.838		Li1	F4	Li2	79.838
F3	Li1	F4	100.162		F3	Li2	F4	100.162

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

using model chemistry: PBEPBE/6-31G*

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	0.480
2	Li	0.480
3	F	-0.480
4	F	-0.480

<r²>	48.406
(<r²>)^1/2	6.957

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

using model chemistry: PBEPBE/6-31G*

States and conformations

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