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	hartrees
Energy at 0K	-90.309048
Energy at 298.15K	-90.309349
HF Energy	-90.309048
Nuclear repulsion energy	17.075905

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ_g	817	782	0.00
2	Σ_u	1076	1030	360.03
3	Π_u	122	117	177.90
3	Π_u	122	117	177.90

Atom	x (Å)	y (Å)	z (Å)
O1	0.000	0.000	0.000
Li2	0.000	0.000	1.627
Li3	0.000	0.000	-1.627

	O1	Li2	Li3
O1		1.6270	1.6270
Li2	1.6270		3.2539
Li3	1.6270	3.2539

Number	Element	Mulliken
1	O	-0.766
2	Li	0.383
3	Li	0.383

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

using model chemistry: B3LYPultrafine/6-31G*

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

using model chemistry: B3LYPultrafine/6-31G*

States and conformations

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