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	hartrees
Energy at 0K	-507.411441
Energy at 298.15K	-507.412407
HF Energy	-507.411441
Nuclear repulsion energy	81.175351

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ	2094	2081	291.68
2	Σ	779	774	18.50
3	Π	448	446	0.16
3	Π	448	446	0.16

Atom	x (Å)	y (Å)	z (Å)
N1	0.000	0.000	-1.734
N2	0.000	0.000	-0.585
S3	0.000	0.000	1.015

	N1	N2	S3
N1		1.1492	2.7488
N2	1.1492		1.5996
S3	2.7488	1.5996

Number	Element	Mulliken
1	N	-0.177
2	N	0.050
3	S	0.127

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

using model chemistry: PBEPBE/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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<r²>	54.975
(<r²>)^1/2	7.415