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	hartrees
Energy at 0K	-214.938292
Energy at 298.15K
HF Energy	-214.938292
Nuclear repulsion energy	51.228834

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	359	346	0.00
2	A_g	665	639	0.00
3	B_1u	673	647	271.52
4	B_2u	563	542	275.37
5	B_3g	555	534	0.00
6	B_3u	286	275	195.64

Atom	y (Å)	z (Å)
Li1	1.111	0.000
Li2	-1.111	0.000
F3	0.000	1.330
F4	0.000	-1.330

	Li1	Li2	F3	F4
Li1		2.2212	1.7331	1.7331
Li2	2.2212		1.7331	1.7331
F3	1.7331	1.7331		2.6609
F4	1.7331	1.7331	2.6609

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
Li1	F3	Li2	79.707		Li1	F4	Li2	79.707
F3	Li1	F4	100.293		F3	Li2	F4	100.293

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

using model chemistry: B3PW91/cc-pVTZ

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	0.454
2	Li	0.454
3	F	-0.454
4	F	-0.454

<r²>	48.441
(<r²>)^1/2	6.960

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

using model chemistry: B3PW91/cc-pVTZ

States and conformations

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