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	hartrees
Energy at 0K	-213.565476
Energy at 298.15K
HF Energy	-213.478242
Nuclear repulsion energy	52.651544

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	754	754	0.00	15.44	0.07	0.14
2	A_g	401	401	0.00	0.50	0.51	0.68
3	B_1u	695	695	182.05	0.00	0.53	0.69
4	B_2u	640	640	261.06	0.00	0.44	0.62
5	B_3g	619	619	0.00	0.29	0.75	0.86
6	B_3u	300	300	182.73	0.00	0.75	0.86

Atom	y (Å)	z (Å)
Li1	1.124	0.000
Li2	-1.124	0.000
F3	0.000	1.272
F4	0.000	-1.272

	Li1	Li2	F3	F4
Li1		2.2477	1.6970	1.6970
Li2	2.2477		1.6970	1.6970
F3	1.6970	1.6970		2.5431
F4	1.6970	1.6970	2.5431

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
Li1	F3	Li2	82.942		Li1	F4	Li2	82.942
F3	Li1	F4	97.058		F3	Li2	F4	97.058

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

using model chemistry: B2PLYP/3-21G

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	0.435
2	Li	0.435
3	F	-0.435
4	F	-0.435

<r²>	45.938
(<r²>)^1/2	6.778

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

using model chemistry: B2PLYP/3-21G

States and conformations

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