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	hartrees
Energy at 0K	-507.451409
Energy at 298.15K	-507.452413
HF Energy	-507.451409
Nuclear repulsion energy	81.961138

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ	2088	2074	303.77
2	Σ	795	790	18.95
3	Π	468	465	0.11
3	Π	468	465	0.11

Atom	x (Å)	y (Å)	z (Å)
N1	0.000	0.000	-1.718
N2	0.000	0.000	-0.579
S3	0.000	0.000	1.005

	N1	N2	S3
N1		1.1390	2.7226
N2	1.1390		1.5836
S3	2.7226	1.5836

Number	Element	Mulliken
1	N	-0.366
2	N	0.269
3	S	0.097

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

using model chemistry: PBEPBE/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>	54.171
(<r²>)^1/2	7.360