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	hartrees
Energy at 0K	-211.790632
Energy at 298.15K
HF Energy	-211.790632
Nuclear repulsion energy	55.575496

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	888	780	0.00	23.85	0.10	0.18
2	A_g	437	384	0.00	0.88	0.74	0.85
3	B_1u	800	703	98.02	0.00	0.00	0.00
4	B_2u	855	752	193.14	0.00	0.00	0.00
5	B_3g	762	669	0.00	0.00	0.75	0.86
6	B_3u	258	227	66.01	0.00	0.00	0.00

Atom	y (Å)	z (Å)
Li1	1.109	0.000
Li2	-1.109	0.000
F3	0.000	1.181
F4	0.000	-1.181

	Li1	Li2	F3	F4
Li1		2.2182	1.6200	1.6200
Li2	2.2182		1.6200	1.6200
F3	1.6200	1.6200		2.3616
F4	1.6200	1.6200	2.3616

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
Li1	F3	Li2	86.414		Li1	F4	Li2	86.414
F3	Li1	F4	93.586		F3	Li2	F4	93.586

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

using model chemistry: mPW1PW91/STO-3G

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	0.108
2	Li	0.108
3	F	-0.108
4	F	-0.108

<r²>	41.526
(<r²>)^1/2	6.444

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

using model chemistry: mPW1PW91/STO-3G

States and conformations

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