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	hartrees
Energy at 0K	-507.676527
Energy at 298.15K	-507.677552
HF Energy	-507.676527
Nuclear repulsion energy	82.296177

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ	2196	2119	325.47
2	Σ	783	756	27.22
3	Π	487	470	0.14
3	Π	487	470	0.14

Atom	x (Å)	y (Å)	z (Å)
N1	0.000	0.000	-1.709
N2	0.000	0.000	-0.581
S3	0.000	0.000	1.002

	N1	N2	S3
N1		1.1273	2.7107
N2	1.1273		1.5835
S3	2.7107	1.5835

Number	Element	Mulliken
1	N	-0.152
2	N	0.289
3	S	-0.137

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

using model chemistry: B3LYP/6-31G(2df,p)

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>	53.652
(<r²>)^1/2	7.325