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	hartrees
Energy at 0K	-90.350380
Energy at 298.15K	-90.350658
HF Energy	-90.350380
Nuclear repulsion energy	17.241144

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ_g	792	766	0.00
2	Σ_u	1047	1012	345.33
3	Π_u	115	112	213.08
3	Π_u	115	112	213.08

Atom	x (Å)	y (Å)	z (Å)
O1	0.000	0.000	0.000
Li2	0.000	0.000	1.611
Li3	0.000	0.000	-1.611

	O1	Li2	Li3
O1		1.6114	1.6114
Li2	1.6114		3.2227
Li3	1.6114	3.2227

Number	Element	Mulliken
1	O	-0.332
2	Li	0.166
3	Li	0.166

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

using model chemistry: B3LYP/cc-pVTZ

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>	18.907
(<r²>)^1/2	4.348

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

using model chemistry: B3LYP/cc-pVTZ

States and conformations

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