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	hartrees
Energy at 0K	-507.698209
Energy at 298.15K	-507.699215
HF Energy	-507.698209
Nuclear repulsion energy	81.977458

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ	2244	2149	365.81
2	Σ	780	747	31.63
3	Π	472	452	0.01
3	Π	472	452	0.01

Atom	x (Å)	y (Å)	z (Å)
N1	0.000	0.000	-1.714
N2	0.000	0.000	-0.588
S3	0.000	0.000	1.007

	N1	N2	S3
N1		1.1261	2.7207
N2	1.1261		1.5947
S3	2.7207	1.5947

Number	Element	Mulliken
1	N	-0.084
2	N	-0.062
3	S	0.146

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

using model chemistry: B1B95/aug-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>	54.147
(<r²>)^1/2	7.358