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	hartrees
Energy at 0K	-507.373604
Energy at 298.15K	-507.374584
HF Energy	-507.373604
Nuclear repulsion energy	81.511914

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ	2116	2086	279.69
2	Σ	795	784	17.32
3	Π	462	455	0.10
3	Π	462	455	0.10

Atom	x (Å)	y (Å)	z (Å)
N1	0.000	0.000	-1.729
N2	0.000	0.000	-0.579
S3	0.000	0.000	1.009

	N1	N2	S3
N1		1.1499	2.7381
N2	1.1499		1.5882
S3	2.7381	1.5882

Number	Element	Mulliken
1	N	-0.108
2	N	0.053
3	S	0.055

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

using model chemistry: PBEPBE/6-31G*

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>	54.389
(<r²>)^1/2	7.375