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	hartrees
Energy at 0K	-507.453802
Energy at 298.15K	-507.454911
HF Energy	-507.453802
Nuclear repulsion energy	82.156784

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ	2085	2085	304.58
2	Σ	803	803	19.15
3	Π	472	472	0.12
3	Π	472	472	0.12

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		1.1396	2.7165
N2	1.1396		1.5769
S3	2.7165	1.5769

Number	Element	Mulliken
1	N	-0.351
2	N	0.226
3	S	0.125

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

using model chemistry: PBEPBE/aug-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>	53.964
(<r²>)^1/2	7.346