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	hartrees
Energy at 0K	-215.010395
Energy at 298.15K
HF Energy	-215.010395
Nuclear repulsion energy	51.340754

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	663	663	0.00	5.18	0.02	0.04
2	A_g	362	362	0.00	0.28	0.18	0.31
3	B_1u	671	671	288.24	0.00	0.00	0.00
4	B_2u	564	564	266.20	0.00	0.00	0.00
5	B_3g	559	559	0.00	0.47	0.75	0.86
6	B_3u	285	285	190.78	0.00	0.00	0.00

Atom	y (Å)	z (Å)
Li1	1.106	0.000
Li2	-1.106	0.000
F3	0.000	1.329
F4	0.000	-1.329

	Li1	Li2	F3	F4
Li1		2.2124	1.7288	1.7288
Li2	2.2124		1.7288	1.7288
F3	1.7288	1.7288		2.6572
F4	1.7288	1.7288	2.6572

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
Li1	F3	Li2	79.561		Li1	F4	Li2	79.561
F3	Li1	F4	100.439		F3	Li2	F4	100.439

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

using model chemistry: TPSSh/6-311+G(3df,2p)

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	0.671
2	Li	0.671
3	F	-0.671
4	F	-0.671

<r²>	48.370
(<r²>)^1/2	6.955

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

using model chemistry: TPSSh/6-311+G(3df,2p)

States and conformations

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