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	hartrees
Energy at 0K	-90.341600
Energy at 298.15K	-90.341789
HF Energy	-90.341600
Nuclear repulsion energy	17.253325

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ_g	788	788	0.00
2	Σ_u	1034	1034	323.31
3	Π_u	92	92	207.34
3	Π_u	92	92	207.34

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		1.6102	1.6102
Li2	1.6102		3.2205
Li3	1.6102	3.2205

Number	Element	Mulliken
1	O	-0.402
2	Li	0.201
3	Li	0.201

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

using model chemistry: TPSSh/cc-pVQZ

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>	18.836
(<r²>)^1/2	4.340

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

using model chemistry: TPSSh/cc-pVQZ

States and conformations

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