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	hartrees
Energy at 0K	-504.940530
Energy at 298.15K	-504.941548
HF Energy	-504.940530
Nuclear repulsion energy	81.860741

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ	2073	1990	322.09
2	Σ	794	763	23.66
3	Π	482	463	0.09
3	Π	482	463	0.09

Atom	x (Å)	y (Å)	z (Å)
N1	0.000	0.000	-1.720
N2	0.000	0.000	-0.578
S3	0.000	0.000	1.006

	N1	N2	S3
N1		1.1422	2.7261
N2	1.1422		1.5840
S3	2.7261	1.5840

Number	Element	Mulliken
1	N	0.009
2	N	-0.109
3	S	0.101

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

using model chemistry: HSEh1PBE/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>	54.191
(<r²>)^1/2	7.361