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	hartrees
Energy at 0K	-211.646801
Energy at 298.15K
HF Energy	-211.646801
Nuclear repulsion energy	55.623366

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	889	785	0.00	23.89	0.10	0.18
2	A_g	437	386	0.00	0.89	0.75	0.85
3	B_1u	801	708	95.53	0.00	0.00	0.00
4	B_2u	857	757	190.15	0.00	0.00	0.00
5	B_3g	762	673	0.00	0.00	0.75	0.86
6	B_3u	256	226	63.97	0.00	0.00	0.00

Atom	y (Å)	z (Å)
Li1	1.109	0.000
Li2	-1.109	0.000
F3	0.000	1.179
F4	0.000	-1.179

	Li1	Li2	F3	F4
Li1		2.2178	1.6188	1.6188
Li2	2.2178		1.6188	1.6188
F3	1.6188	1.6188		2.3588
F4	1.6188	1.6188	2.3588

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
Li1	F3	Li2	86.472		Li1	F4	Li2	86.472
F3	Li1	F4	93.528		F3	Li2	F4	93.528

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

using model chemistry: HSEh1PBE/STO-3G

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	0.100
2	Li	0.100
3	F	-0.100
4	F	-0.100

<r²>	41.504
(<r²>)^1/2	6.442

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

using model chemistry: HSEh1PBE/STO-3G

States and conformations

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