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	hartrees
Energy at 0K	-507.451949
Energy at 298.15K	-507.452968
HF Energy	-507.451949
Nuclear repulsion energy	82.135443

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ	2093	2078	288.65
2	Σ	804	798	18.02
3	Π	475	472	0.02
3	Π	475	472	0.02

Atom	x (Å)	y (Å)	z (Å)
N1	0.000	0.000	-1.715
N2	0.000	0.000	-0.575
S3	0.000	0.000	1.002

	N1	N2	S3
N1		1.1395	2.7171
N2	1.1395		1.5776
S3	2.7171	1.5776

Number	Element	Mulliken
1	N	-0.048
2	N	0.060
3	S	-0.012

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

using model chemistry: PBEPBE/cc-pV(T+d)Z

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>	53.837
(<r²>)^1/2	7.337