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	hartrees
Energy at 0K	-90.220539
Energy at 298.15K	-90.220819
HF Energy	-90.220539
Nuclear repulsion energy	17.275615

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ_g	796	766	0.00
2	Σ_u	1046	1006	348.37
3	Π_u	116	111	220.25
3	Π_u	116	111	220.25

Atom	x (Å)	y (Å)	z (Å)
O1	0.000	0.000	0.000
Li2	0.000	0.000	1.608
Li3	0.000	0.000	-1.608

	O1	Li2	Li3
O1		1.6082	1.6082
Li2	1.6082		3.2163
Li3	1.6082	3.2163

Number	Element	Mulliken
1	O	-0.449
2	Li	0.224
3	Li	0.224

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

using model chemistry: HSEh1PBE/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>	18.707
(<r²>)^1/2	4.325

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

using model chemistry: HSEh1PBE/aug-cc-pVTZ

States and conformations

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