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	hartrees
Energy at 0K	-506.110594
Energy at 298.15K	-506.111641
HF Energy	-506.110594
Nuclear repulsion energy	82.844234

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ	2146	2126	313.02
2	Σ	838	830	17.30
3	Π	486	482	0.08
3	Π	486	482	0.08

Atom	x (Å)	y (Å)	z (Å)
N1	0.000	0.000	-1.701
N2	0.000	0.000	-0.569
S3	0.000	0.000	0.993

	N1	N2	S3
N1		1.1313	2.6941
N2	1.1313		1.5627
S3	2.6941	1.5627

Number	Element	Mulliken
1	N	-0.572
2	N	0.441
3	S	0.130

All results from a given calculation for NNS (Nitrogen sulfide)

using model chemistry: LSDA/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>	53.312
(<r²>)^1/2	7.301