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	hartrees
Energy at 0K	-213.697361
Energy at 298.15K
HF Energy	-213.697361
Nuclear repulsion energy	53.080762

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	787	746	0.00	8.75	0.10	0.18
2	A_g	406	384	0.00	0.48	0.50	0.67
3	B_1u	745	705	194.60	0.00	0.04	0.00
4	B_2u	684	647	260.28	0.00	0.00	0.00
5	B_3g	669	634	0.00	0.24	0.75	0.86
6	B_3u	313	296	192.72	0.00	0.00	0.00

Atom	y (Å)	z (Å)
Li1	1.122	0.000
Li2	-1.122	0.000
F3	0.000	1.257
F4	0.000	-1.257

	Li1	Li2	F3	F4
Li1		2.2442	1.6852	1.6852
Li2	2.2442		1.6852	1.6852
F3	1.6852	1.6852		2.5146
F4	1.6852	1.6852	2.5146

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
Li1	F3	Li2	83.495		Li1	F4	Li2	83.495
F3	Li1	F4	96.505		F3	Li2	F4	96.505

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

using model chemistry: M06-2X/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	0.461
2	Li	0.461
3	F	-0.461
4	F	-0.461

<r²>	45.037
(<r²>)^1/2	6.711

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

using model chemistry: M06-2X/3-21G*

States and conformations

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