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	hartrees
Energy at 0K	-214.888512
Energy at 298.15K
HF Energy	-214.888512
Nuclear repulsion energy	51.095217

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	662	639	0.00	3.93	0.02	0.03
2	A_g	361	349	0.00	0.25	0.17	0.29
3	B_1u	667	643	295.04	0.00	0.00	0.00
4	B_2u	566	546	278.48	0.00	0.00	0.00
5	B_3g	562	542	0.00	0.44	0.75	0.86
6	B_3u	286	276	202.80	0.00	0.00	0.00

Atom	y (Å)	z (Å)
Li1	1.114	0.000
Li2	-1.114	0.000
F3	0.000	1.334
F4	0.000	-1.334

	Li1	Li2	F3	F4
Li1		2.2279	1.7377	1.7377
Li2	2.2279		1.7377	1.7377
F3	1.7377	1.7377		2.6674
F4	1.7377	1.7377	2.6674

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
Li1	F3	Li2	79.739		Li1	F4	Li2	79.739
F3	Li1	F4	100.261		F3	Li2	F4	100.261

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

using model chemistry: B3PW91/aug-cc-pVDZ

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	0.563
2	Li	0.563
3	F	-0.563
4	F	-0.563

<r²>	48.743
(<r²>)^1/2	6.982

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

using model chemistry: B3PW91/aug-cc-pVDZ

States and conformations

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