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	hartrees
Energy at 0K	-507.664585
Energy at 298.15K	-507.665538
HF Energy	-507.664585
Nuclear repulsion energy	81.654419

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ	2107	2076	307.61
2	Σ	763	752	20.12
3	Π	446	440	0.06
3	Π	446	440	0.06

Atom	x (Å)	y (Å)	z (Å)
N1	0.000	0.000	-1.722
N2	0.000	0.000	-0.587
S3	0.000	0.000	1.010

	N1	N2	S3
N1		1.1352	2.7319
N2	1.1352		1.5968
S3	2.7319	1.5968

Number	Element	Mulliken
1	N	-0.101
2	N	0.172
3	S	-0.070

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

using model chemistry: B97D3/TZVP

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>	54.396
(<r²>)^1/2	7.375