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	hartrees
Energy at 0K	-501.733277
Energy at 298.15K	-501.734093
HF Energy	-501.733277
Nuclear repulsion energy	79.779928

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ	2162	1913	67.39
2	Σ	868	768	5.83
3	Π	413	366	0.29
3	Π	413	366	0.29

Atom	x (Å)	y (Å)	z (Å)
N1	0.000	0.000	-1.778
N2	0.000	0.000	-0.566
S3	0.000	0.000	1.025

	N1	N2	S3
N1		1.2120	2.8033
N2	1.2120		1.5914
S3	2.8033	1.5914

Number	Element	Mulliken
1	N	-0.047
2	N	-0.152
3	S	0.199

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

using model chemistry: B3PW91/STO-3G

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>	54.483
(<r²>)^1/2	7.381