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	hartrees
Energy at 0K	-214.980534
Energy at 298.15K
HF Energy	-214.980534
Nuclear repulsion energy	51.101481

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	653	653	0.00	4.57	0.01	0.02
2	A_g	358	358	0.00	0.36	0.10	0.18
3	B_1u	680	680	292.17	0.00	0.00	0.00
4	B_2u	545	545	272.08	0.00	0.00	0.00
5	B_3g	566	566	0.00	0.37	0.75	0.86
6	B_3u	286	286	200.39	0.00	0.00	0.00

Atom	y (Å)	z (Å)
Li1	1.098	0.000
Li2	-1.098	0.000
F3	0.000	1.342
F4	0.000	-1.342

	Li1	Li2	F3	F4
Li1		2.1963	1.7339	1.7339
Li2	2.1963		1.7339	1.7339
F3	1.7339	1.7339		2.6836
F4	1.7339	1.7339	2.6836

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
Li1	F3	Li2	78.595		Li1	F4	Li2	78.595
F3	Li1	F4	101.405		F3	Li2	F4	101.405

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

using model chemistry: wB97X-D/daug-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	0.619
2	Li	0.619
3	F	-0.619
4	F	-0.619

<r²>	48.936
(<r²>)^1/2	6.995

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

using model chemistry: wB97X-D/daug-cc-pVTZ

States and conformations

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