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	hartrees
Energy at 0K	-507.415223
Energy at 298.15K	-507.416233
HF Energy	-507.415223
Nuclear repulsion energy	81.970873

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ	2257	2170	331.29
2	Σ	793	762	28.66
3	Π	474	455	0.47
3	Π	474	455	0.47

Atom	x (Å)	y (Å)	z (Å)
N1	0.000	0.000	-1.714
N2	0.000	0.000	-0.587
S3	0.000	0.000	1.007

	N1	N2	S3
N1		1.1278	2.7211
N2	1.1278		1.5933
S3	2.7211	1.5933

Number	Element	Mulliken
1	N	-0.074
2	N	0.102
3	S	-0.028

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

using model chemistry: PBE1PBE/cc-pVDZ

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>	53.932
(<r²>)^1/2	7.344