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	hartrees
Energy at 0K	-214.913631
Energy at 298.15K
HF Energy	-214.913631
Nuclear repulsion energy	51.323376

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	669	669	0.00	4.75	0.01	0.02
2	A_g	363	363	0.00	0.25	0.13	0.23
3	B_1u	675	675	292.29	0.00	0.00	0.00
4	B_2u	573	573	275.64	0.00	0.00	0.00
5	B_3g	569	569	0.00	0.36	0.75	0.86
6	B_3u	274	274	198.84	0.00	0.00	0.00

Atom	y (Å)	z (Å)
Li1	1.111	0.000
Li2	-1.111	0.000
F3	0.000	1.327
F4	0.000	-1.327

	Li1	Li2	F3	F4
Li1		2.2225	1.7305	1.7305
Li2	2.2225		1.7305	1.7305
F3	1.7305	1.7305		2.6532
F4	1.7305	1.7305	2.6532

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
Li1	F3	Li2	79.903		Li1	F4	Li2	79.903
F3	Li1	F4	100.097		F3	Li2	F4	100.097

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

using model chemistry: mPW1PW91/daug-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	0.474
2	Li	0.474
3	F	-0.474
4	F	-0.474

<r²>	48.338
(<r²>)^1/2	6.953

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

using model chemistry: mPW1PW91/daug-cc-pVDZ

States and conformations

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