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	hartrees
Energy at 0K	-507.426524
Energy at 298.15K	-507.427577
HF Energy	-507.426524
Nuclear repulsion energy	82.713760

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ	2244	2149	341.32
2	Σ	815	781	29.07
3	Π	498	477	0.13
3	Π	498	477	0.13

Atom	x (Å)	y (Å)	z (Å)
N1	0.000	0.000	-1.701
N2	0.000	0.000	-0.577
S3	0.000	0.000	0.997

	N1	N2	S3
N1		1.1235	2.6972
N2	1.1235		1.5737
S3	2.6972	1.5737

Number	Element	Mulliken
1	N	-0.156
2	N	0.288
3	S	-0.133

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

using model chemistry: HSEh1PBE/6-31G(2df,p)

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>	53.209
(<r²>)^1/2	7.294