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	hartrees
Energy at 0K	-214.817871
Energy at 298.15K
HF Energy	-214.670749
Nuclear repulsion energy	51.072542

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	3.99	0.02	0.03
2	A_g	363	363	0.00	0.26	0.15	0.26
3	B_1u	670	670	294.08	0.00	0.00	0.00
4	B_2u	571	571	277.95	0.00	0.00	0.00
5	B_3g	569	569	0.00	0.44	0.75	0.86
6	B_3u	288	288	203.38	0.00	0.00	0.00

Atom	y (Å)	z (Å)
Li1	1.115	0.000
Li2	-1.115	0.000
F3	0.000	1.334
F4	0.000	-1.334

	Li1	Li2	F3	F4
Li1		2.2292	1.7385	1.7385
Li2	2.2292		1.7385	1.7385
F3	1.7385	1.7385		2.6685
F4	1.7385	1.7385	2.6685

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
Li1	F3	Li2	79.749		Li1	F4	Li2	79.749
F3	Li1	F4	100.251		F3	Li2	F4	100.251

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

using model chemistry: B2PLYP/aug-cc-pVDZ

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	0.571
2	Li	0.571
3	F	-0.571
4	F	-0.571

<r²>	48.886
(<r²>)^1/2	6.992

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

using model chemistry: B2PLYP/aug-cc-pVDZ

States and conformations

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