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	hartrees
Energy at 0K	-507.701886
Energy at 298.15K	-507.702854
HF Energy	-507.701886
Nuclear repulsion energy	81.417810

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ	2182	2118	356.60
2	Σ	748	726	28.97
3	Π	456	443	0.04
3	Π	456	443	0.04

Atom	x (Å)	y (Å)	z (Å)
N1	0.000	0.000	-1.725
N2	0.000	0.000	-0.593
S3	0.000	0.000	1.014

	N1	N2	S3
N1		1.1323	2.7393
N2	1.1323		1.6070
S3	2.7393	1.6070

Number	Element	Mulliken
1	N	-0.109
2	N	-0.023
3	S	0.132

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

using model chemistry: B3LYP/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>	54.845
(<r²>)^1/2	7.406