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	hartrees
Energy at 0K	-90.352151
Energy at 298.15K	-90.352476
HF Energy	-90.352151
Nuclear repulsion energy	17.259098

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ_g	795	769	0.00
2	Σ_u	1044	1010	343.99
3	Π_u	129	125	217.61
4	Π_u	129	125	217.61

Atom	x (Å)	y (Å)	z (Å)
O1	0.000	0.000	0.000
Li2	0.000	0.000	1.610
Li3	0.000	0.000	-1.610

	O1	Li2	Li3
O1		1.6097	1.6097
Li2	1.6097		3.2194
Li3	1.6097	3.2194

Number	Element	Mulliken
1	O	-0.390
2	Li	0.195
3	Li	0.195

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

using model chemistry: B3LYPultrafine/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>	18.868
(<r²>)^1/2	4.344

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

using model chemistry: B3LYPultrafine/aug-cc-pVTZ

States and conformations

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