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	hartrees
Energy at 0K	-49.048138
Energy at 298.15K
HF Energy	-49.048138
Nuclear repulsion energy	18.057639

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	1.86	0.28	0.44
2	A_g	329	318	0.00	0.26	0.30	0.46
3	B_1u	614	593	241.46	0.00	0.00	0.00
4	B_2u	511	494	301.24	0.00	0.00	0.00
5	B_3g	487	471	0.00	0.77	0.75	0.86
6	B_3u	283	273	220.19	0.00	0.00	0.00

Atom	y (Å)	z (Å)
Li1	1.227	0.000
Li2	-1.227	0.000
F3	0.000	1.339
F4	0.000	-1.339

	Li1	Li2	F3	F4
Li1		2.4549	1.8163	1.8163
Li2	2.4549		1.8163	1.8163
F3	1.8163	1.8163		2.6775
F4	1.8163	1.8163	2.6775

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
Li1	F3	Li2	85.034		Li1	F4	Li2	85.034
F3	Li1	F4	94.966		F3	Li2	F4	94.966

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

using model chemistry: B3LYP/CEP-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	0.583
2	Li	0.583
3	F	-0.583
4	F	-0.583

<r²>	36.907
(<r²>)^1/2	6.075

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

using model chemistry: B3LYP/CEP-31G*

States and conformations

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