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	hartrees
Energy at 0K	-501.566858
Energy at 298.15K	-501.567692
HF Energy	-501.566858
Nuclear repulsion energy	80.067851

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ	2205	1945	74.26
2	Σ	881	777	6.83
3	Π	421	371	0.39
3	Π	421	371	0.39

Atom	x (Å)	y (Å)	z (Å)
N1	0.000	0.000	-1.771
N2	0.000	0.000	-0.565
S3	0.000	0.000	1.022

	N1	N2	S3
N1		1.2062	2.7930
N2	1.2062		1.5868
S3	2.7930	1.5868

Number	Element	Mulliken
1	N	-0.045
2	N	-0.147
3	S	0.193

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

using model chemistry: PBE1PBE/STO-3G

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>	54.201
(<r²>)^1/2	7.362