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	hartrees
Energy at 0K	-89.819454
Energy at 298.15K	-89.819777
HF Energy	-89.819454
Nuclear repulsion energy	17.344086

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ_g	871	841	0.00
2	Σ_u	1133	1093	366.21
3	Π_u	119	115	158.57
3	Π_u	119	115	158.57

Atom	x (Å)	y (Å)	z (Å)
O1	0.000	0.000	0.000
Li2	0.000	0.000	1.602
Li3	0.000	0.000	-1.602

	O1	Li2	Li3
O1		1.6018	1.6018
Li2	1.6018		3.2036
Li3	1.6018	3.2036

Number	Element	Mulliken
1	O	-0.595
2	Li	0.298
3	Li	0.298

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

using model chemistry: B3LYPultrafine/3-21G

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>	19.825
(<r²>)^1/2	4.452

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

using model chemistry: B3LYPultrafine/3-21G

States and conformations

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