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	hartrees
Energy at 0K	-214.991777
Energy at 298.15K
HF Energy	-214.991777
Nuclear repulsion energy	51.264497

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	668	668	0.00	5.37	0.01	0.02
2	A_g	363	363	0.00	0.24	0.14	0.25
3	B_1u	673	673	289.73	0.00	0.00	0.00
4	B_2u	570	570	271.77	0.00	0.00	0.00
5	B_3g	567	567	0.00	0.37	0.75	0.86
6	B_3u	270	270	195.28	0.00	0.00	0.00

Atom	y (Å)	z (Å)
Li1	1.109	0.000
Li2	-1.109	0.000
F3	0.000	1.330
F4	0.000	-1.330

	Li1	Li2	F3	F4
Li1		2.2175	1.7316	1.7316
Li2	2.2175		1.7316	1.7316
F3	1.7316	1.7316		2.6602
F4	1.7316	1.7316	2.6602

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
Li1	F3	Li2	79.628		Li1	F4	Li2	79.628
F3	Li1	F4	100.372		F3	Li2	F4	100.372

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

using model chemistry: B3LYP/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	0.452
2	Li	0.452
3	F	-0.452
4	F	-0.452

<r²>	48.618
(<r²>)^1/2	6.973

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

using model chemistry: B3LYP/daug-cc-pVDZ

States and conformations

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