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	hartrees
Energy at 0K	-213.715510
Energy at 298.15K
HF Energy	-213.715510
Nuclear repulsion energy	52.661783

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	744	707	0.00	15.24	0.07	0.14
2	A_g	395	375	0.00	0.42	0.53	0.69
3	B_1u	687	653	188.70	0.00	0.00	0.00
4	B_2u	630	599	265.39	0.00	0.00	0.00
5	B_3g	608	578	0.00	0.33	0.75	0.86
6	B_3u	299	284	187.15	0.00	0.00	0.00

Atom	y (Å)	z (Å)
Li1	1.125	0.000
Li2	-1.125	0.000
F3	0.000	1.270
F4	0.000	-1.270

	Li1	Li2	F3	F4
Li1		2.2508	1.6971	1.6971
Li2	2.2508		1.6971	1.6971
F3	1.6971	1.6971		2.5407
F4	1.6971	1.6971	2.5407

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
Li1	F3	Li2	83.077		Li1	F4	Li2	83.077
F3	Li1	F4	96.923		F3	Li2	F4	96.923

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

using model chemistry: mPW1PW91/3-21G*

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	0.450
2	Li	0.450
3	F	-0.450
4	F	-0.450

<r²>	45.843
(<r²>)^1/2	6.771

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

using model chemistry: mPW1PW91/3-21G*

States and conformations

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