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	hartrees
Energy at 0K	-214.949717
Energy at 298.15K
HF Energy	-214.949717
Nuclear repulsion energy	51.226964

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	685	648	0.00	0.71	0.33	0.50
2	A_g	364	345	0.00	0.57	0.43	0.60
3	B_1u	680	643	275.65	0.00	0.00	0.00
4	B_2u	596	564	304.91	0.00	0.00	0.00
5	B_3g	589	557	0.00	0.00	0.75	0.86
6	B_3u	300	284	245.72	0.00	0.00	0.00

Atom	y (Å)	z (Å)
Li1	1.148	0.000
Li2	-1.148	0.000
F3	0.000	1.311
F4	0.000	-1.311

	Li1	Li2	F3	F4
Li1		2.2965	1.7424	1.7424
Li2	2.2965		1.7424	1.7424
F3	1.7424	1.7424		2.6211
F4	1.7424	1.7424	2.6211

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
Li1	F3	Li2	82.447		Li1	F4	Li2	82.447
F3	Li1	F4	97.553		F3	Li2	F4	97.553

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

using model chemistry: M06-2X/TZVP

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	0.791
2	Li	0.791
3	F	-0.791
4	F	-0.791

<r²>	48.026
(<r²>)^1/2	6.930

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

using model chemistry: M06-2X/TZVP

States and conformations

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