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	hartrees
Energy at 0K	-505.064929
Energy at 298.15K	-505.065843
HF Energy	-505.064929
Nuclear repulsion energy	78.667666

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ	1933	1922	223.56
2	Σ	688	684	9.37
3	Π	444	442	0.03
3	Π	444	442	0.03

Atom	x (Å)	y (Å)	z (Å)
N1	0.000	0.000	-1.782
N2	0.000	0.000	-0.622
S3	0.000	0.000	1.052

	N1	N2	S3
N1		1.1597	2.8341
N2	1.1597		1.6744
S3	2.8341	1.6744

Number	Element	Mulliken
1	N	-0.009
2	N	-0.209
3	S	0.218

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

using model chemistry: BLYP/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>	57.637
(<r²>)^1/2	7.592