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	hartrees
Energy at 0K	-90.304529
Energy at 298.15K	-90.304769
HF Energy	-90.304529
Nuclear repulsion energy	16.981658

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ_g	751	739	0.00
2	Σ_u	989	974	288.94
3	Π_u	111	110	193.68
3	Π_u	111	110	193.68

Atom	x (Å)	y (Å)	z (Å)
O1	0.000	0.000	0.000
Li2	0.000	0.000	1.636
Li3	0.000	0.000	-1.636

	O1	Li2	Li3
O1		1.6360	1.6360
Li2	1.6360		3.2720
Li3	1.6360	3.2720

Number	Element	Mulliken
1	O	-0.310
2	Li	0.155
3	Li	0.155

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

using model chemistry: B97D3/aug-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>	19.492
(<r²>)^1/2	4.415

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

using model chemistry: B97D3/aug-cc-pVTZ

States and conformations

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