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	hartrees
Energy at 0K	-504.901265
Energy at 298.15K	-504.902247
HF Energy	-504.901265
Nuclear repulsion energy	81.035845

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ	1934	1844	246.39
2	Σ	785	748	12.98
3	Π	463	441	0.00
3	Π	463	441	0.00

Atom	x (Å)	y (Å)	z (Å)
N1	0.000	0.000	-1.742
N2	0.000	0.000	-0.576
S3	0.000	0.000	1.014

	N1	N2	S3
N1		1.1656	2.7554
N2	1.1656		1.5898
S3	2.7554	1.5898

Number	Element	Mulliken
1	N	-0.006
2	N	-0.116
3	S	0.123

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

using model chemistry: PBEPBE/3-21G*

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>	54.880
(<r²>)^1/2	7.408