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	hartrees
Energy at 0K	-214.917807
Energy at 298.15K
HF Energy	-214.917807
Nuclear repulsion energy	51.328778

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	396	380	0.00	281170.80	0.33	0.50
2	A_g	4201i	4024i	0.00	0.00	0.33	0.50
3	B_1u	686	657	291.64	0.00	0.34	0.50
4	B_2u	3065i	2936i	134.33	0.00	0.00	0.00
5	B_3g	571	547	0.00	8.67	0.75	0.86
6	B_3u	277	265	204.18	0.00	0.75	0.86

Atom	y (Å)	z (Å)
Li1	1.114	0.000
Li2	-1.114	0.000
F3	0.000	1.325
F4	0.000	-1.325

	Li1	Li2	F3	F4
Li1		2.2279	1.7310	1.7310
Li2	2.2279		1.7310	1.7310
F3	1.7310	1.7310		2.6500
F4	1.7310	1.7310	2.6500

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
Li1	F3	Li2	80.109		Li1	F4	Li2	80.109
F3	Li1	F4	99.891		F3	Li2	F4	99.891

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

using model chemistry: B1B95/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	0.559
2	Li	0.559
3	F	-0.559
4	F	-0.559

<r²>	48.266
(<r²>)^1/2	6.947

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

using model chemistry: B1B95/aug-cc-pVDZ

States and conformations

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