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	hartrees
Energy at 0K	-89.769221
Energy at 298.15K	-89.769399
HF Energy	-89.769221
Nuclear repulsion energy	17.366231

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ_g	873	829	0.00
2	Σ_u	1136	1079	384.42
3	Π_u	79	75	168.47
3	Π_u	79	75	168.47

Atom	x (Å)	y (Å)	z (Å)
O1	0.000	0.000	0.000
Li2	0.000	0.000	1.600
Li3	0.000	0.000	-1.600

	O1	Li2	Li3
O1		1.5998	1.5998
Li2	1.5998		3.1995
Li3	1.5998	3.1995

Number	Element	Mulliken
1	O	-0.649
2	Li	0.325
3	Li	0.325

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

using model chemistry: mPW1PW91/3-21G*

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>	19.577
(<r²>)^1/2	4.425

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

using model chemistry: mPW1PW91/3-21G*

States and conformations

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