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	hartrees
Energy at 0K	-90.172706
Energy at 298.15K	-90.172948
HF Energy	-90.172706
Nuclear repulsion energy	17.106807

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ_g	793	757	0.00
2	Σ_u	1050	1003	368.34
3	Π_u	106	101	216.21
3	Π_u	106	101	216.21

Atom	x (Å)	y (Å)	z (Å)
O1	0.000	0.000	0.000
Li2	0.000	0.000	1.624
Li3	0.000	0.000	-1.624

	O1	Li2	Li3
O1		1.6240	1.6240
Li2	1.6240		3.2480
Li3	1.6240	3.2480

Number	Element	Mulliken
1	O	-0.706
2	Li	0.353
3	Li	0.353

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

using model chemistry: PBE1PBE/6-31+G**

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>	19.156
(<r²>)^1/2	4.377

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

using model chemistry: PBE1PBE/6-31+G**

States and conformations

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