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	hartrees
Energy at 0K	-507.436541
Energy at 298.15K	-507.437551
HF Energy	-507.436541
Nuclear repulsion energy	82.505026

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ	2245	2154	376.05
2	Σ	798	766	32.93
3	Π	472	453	0.60
3	Π	472	453	0.60

Atom	x (Å)	y (Å)	z (Å)
N1	0.000	0.000	-1.704
N2	0.000	0.000	-0.582
S3	0.000	0.000	1.000

	N1	N2	S3
N1		1.1216	2.7036
N2	1.1216		1.5819
S3	2.7036	1.5819

Number	Element	Mulliken
1	N	-0.064
2	N	-0.018
3	S	0.082

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

using model chemistry: PBE1PBE/6-311G**

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>	53.723
(<r²>)^1/2	7.330