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	hartrees
Energy at 0K	-90.336928
Energy at 298.15K	-90.337119
HF Energy	-90.336928
Nuclear repulsion energy	17.178750

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ_g	804	776	0.00
2	Σ_u	1049	1013	357.18
3	Π_u	90	87	237.06
3	Π_u	90	87	237.06

Atom	x (Å)	y (Å)	z (Å)
O1	0.000	0.000	0.000
Li2	0.000	0.000	1.617
Li3	0.000	0.000	-1.617

	O1	Li2	Li3
O1		1.6172	1.6172
Li2	1.6172		3.2344
Li3	1.6172	3.2344

Number	Element	Mulliken
1	O	-1.061
2	Li	0.531
3	Li	0.531

All results from a given calculation for Li₂O (dilithium oxide)

using model chemistry: B3LYP/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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<r²>	18.566
(<r²>)^1/2	4.309

All results from a given calculation for Li2O (dilithium oxide)

using model chemistry: B3LYP/TZVP

States and conformations

All results from a given calculation for Li₂O (dilithium oxide)