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	hartrees
Energy at 0K	-501.526182
Energy at 298.15K	-501.526963
HF Energy	-501.526182
Nuclear repulsion energy	79.012894

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ	2060	1882	41.17
2	Σ	849	776	2.94
3	Π	398	364	0.06
3	Π	398	364	0.06

Atom	x (Å)	y (Å)	z (Å)
N1	0.000	0.000	-1.798
N2	0.000	0.000	-0.566
S3	0.000	0.000	1.034

	N1	N2	S3
N1		1.2316	2.8321
N2	1.2316		1.6005
S3	2.8321	1.6005

Number	Element	Mulliken
1	N	-0.057
2	N	-0.157
3	S	0.213

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

using model chemistry: PBEPBE/STO-3G

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>	55.231
(<r²>)^1/2	7.432