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	hartrees
Energy at 0K	-507.744481
Energy at 298.15K	-507.745492
HF Energy	-507.744481
Nuclear repulsion energy	82.270834

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ	2179	2108	374.02
2	Σ	767	742	30.27
3	Π	478	462	0.02
3	Π	478	462	0.02

Atom	x (Å)	y (Å)	z (Å)
N1	0.000	0.000	-1.707
N2	0.000	0.000	-0.586
S3	0.000	0.000	1.004

	N1	N2	S3
N1		1.1210	2.7109
N2	1.1210		1.5899
S3	2.7109	1.5899

Number	Element	Mulliken
1	N	-0.428
2	N	0.382
3	S	0.046

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

using model chemistry: B3LYPultrafine/aug-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>	53.980
(<r²>)^1/2	7.347