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	hartrees
Energy at 0K	-214.905454
Energy at 298.15K
HF Energy	-214.723055
Nuclear repulsion energy	51.324138

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	666	666	0.00	5.35	0.01	0.02
2	A_g	360	360	0.00	0.28	0.11	0.21
3	B_1u	671	671	293.46	0.00	0.00	0.00
4	B_2u	569	569	272.06	0.00	0.00	0.00
5	B_3g	560	560	0.00	0.32	0.75	0.86
6	B_3u	286	286	197.31	0.00	0.00	0.00

Atom	y (Å)	z (Å)
Li1	1.108	0.000
Li2	-1.108	0.000
F3	0.000	1.328
F4	0.000	-1.328

	Li1	Li2	F3	F4
Li1		2.2159	1.7297	1.7297
Li2	2.2159		1.7297	1.7297
F3	1.7297	1.7297		2.6566
F4	1.7297	1.7297	2.6566

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
Li1	F3	Li2	79.663		Li1	F4	Li2	79.663
F3	Li1	F4	100.337		F3	Li2	F4	100.337

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

using model chemistry: B2PLYP/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	0.593
2	Li	0.593
3	F	-0.593
4	F	-0.593

<r²>	48.446
(<r²>)^1/2	6.960

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

using model chemistry: B2PLYP/daug-cc-pVTZ

States and conformations

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