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State	Conformation	minimum conformation	conformer description	state description
1	1	yes	D*H	¹Σ_G
1	2	no	C2V	¹A₁

	hartrees
Energy at 0K	-717.426587
Energy at 298.15K	-717.427306
HF Energy	-717.356916
Nuclear repulsion energy	89.251459

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ_g	276	276	0.00
2	Σ_u	420	420	129.25
3	Π_u	31	31	72.60
3	Π_u	31	31	72.60

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	0.000
Na2	0.000	0.000	2.446
Na3	0.000	0.000	-2.446

	S1	Na2	Na3
S1		2.4457	2.4457
Na2	2.4457		4.8915
Na3	2.4457	4.8915

All results from a given calculation for Na₂S (Sodium sulfide)

using model chemistry: MP3=FULL/3-21G

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	Na2	Na3
S1		2.4456	2.4456
Na2	2.4456		4.8912
Na3	2.4456	4.8912

All results from a given calculation for Na2S (Sodium sulfide)

using model chemistry: MP3=FULL/3-21G

States and conformations

Conformer 1 (D*H)

Conformer 2 (C2V)

All results from a given calculation for Na₂S (Sodium sulfide)