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	hartrees
Energy at 0K	-507.489549
Energy at 298.15K	-507.490597
HF Energy	-507.489549
Nuclear repulsion energy	82.672662

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ	2236	2149	360.43
2	Σ	803	772	29.72
3	Π	493	474	0.14
3	Π	493	474	0.14

Atom	x (Å)	y (Å)	z (Å)
N1	0.000	0.000	-1.700
N2	0.000	0.000	-0.582
S3	0.000	0.000	0.998

	N1	N2	S3
N1		1.1182	2.6980
N2	1.1182		1.5798
S3	2.6980	1.5798

Number	Element	Mulliken
1	N	-0.044
2	N	0.105
3	S	-0.061

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

using model chemistry: HSEh1PBE/cc-pVTZ

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>	53.384
(<r²>)^1/2	7.306