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	hartrees
Energy at 0K	-214.954926
Energy at 298.15K
HF Energy	-214.954926
Nuclear repulsion energy	50.665018

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	647	646	0.00	6.69	0.02	0.04
2	A_g	353	353	0.00	0.32	0.18	0.30
3	B_1u	649	648	282.12	0.00	0.00	0.00
4	B_2u	548	547	265.00	0.00	0.00	0.00
5	B_3g	547	546	0.00	0.61	0.75	0.86
6	B_3u	279	279	190.09	0.00	0.00	0.00

Atom	y (Å)	z (Å)
Li1	1.117	0.000
Li2	-1.117	0.000
F3	0.000	1.348
F4	0.000	-1.348

	Li1	Li2	F3	F4
Li1		2.2339	1.7510	1.7510
Li2	2.2339		1.7510	1.7510
F3	1.7510	1.7510		2.6969
F4	1.7510	1.7510	2.6969

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
Li1	F3	Li2	79.272		Li1	F4	Li2	79.272
F3	Li1	F4	100.728		F3	Li2	F4	100.728

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

using model chemistry: BLYP/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	0.524
2	Li	0.524
3	F	-0.524
4	F	-0.524

<r²>	49.846
(<r²>)^1/2	7.060

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

using model chemistry: BLYP/aug-cc-pVDZ

States and conformations

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