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	hartrees
Energy at 0K	-90.234930
Energy at 298.15K	-90.235355
HF Energy	-90.143636
Nuclear repulsion energy	17.030785

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ_g	785	755	0.00
2	Σ_u	1036	997	330.78
3	Π_u	161	154	198.04
3	Π_u	161	154	198.05

Atom	x (Å)	y (Å)	z (Å)
O1	0.000	0.000	0.000
Li2	0.000	0.000	1.631
Li3	0.000	0.000	-1.631

	O1	Li2	Li3
O1		1.6313	1.6313
Li2	1.6313		3.2625
Li3	1.6313	3.2625

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

using model chemistry: B2PLYP=FULL/aug-cc-pVDZ

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

using model chemistry: B2PLYP=FULL/aug-cc-pVDZ

States and conformations

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