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Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	0.000
Li2	0.000	0.000	2.093
Li3	0.000	0.000	-2.093

	S1	Li2	Li3
S1		2.0930	2.0930
Li2	2.0930		4.1860
Li3	2.0930	4.1860

	hartrees
Energy at 0K	-412.755187
Energy at 298.15K	-412.755504
HF Energy	-412.480240
Nuclear repulsion energy	25.280939

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	592	558	15.66
2	A₁	54	51	125.85
3	B₂	670	631	303.20

Atom	y (Å)	z (Å)
S1	0.000	0.316
Li2	1.772	-0.843
Li3	-1.772	-0.843

All results from a given calculation for Li₂S (dilithium sulfide)

using model chemistry: G2

States and conformations

Conformer 1 (D*H)

Conformer 2 (C2V)

	Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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	S1	Li2	Li3
S1		2.1174	2.1174
Li2	2.1174		3.5437
Li3	2.1174	3.5437

All results from a given calculation for Li2S (dilithium sulfide)

using model chemistry: G2

States and conformations

Conformer 1 (D*H)

Conformer 2 (C2V)

All results from a given calculation for Li₂S (dilithium sulfide)