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	hartrees
Energy at 0K	-527.859458
Energy at 298.15K	-527.860327
HF Energy	-527.859458
Nuclear repulsion energy	88.446719

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)	Raman Act (Å⁴/u)	Dep P	Dep U
1	A'	1738	1669	520.43	20.48	0.35	0.52
2	A'	828	795	39.90	15.68	0.25	0.40
3	A'	526	505	2.48	3.01	0.75	0.86

Atom	x (Å)	y (Å)
N1	0.000	0.622
S2	-0.504	-0.888
O3	1.008	1.231

	N1	S2	O3
N1		1.5915	1.1771
S2	1.5915		2.6021
O3	1.1771	2.6021

Number	Element	Mulliken
1	N	0.001
2	S	0.138
3	O	-0.139

All results from a given calculation for SNO (Nitrogen oxide sulfide)

using model chemistry: HSEh1PBE/6-311G**

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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	x	y	z	Total
	-0.234	-0.466	0.000	0.521
CHELPG
AIM
ESP

	x	y	z
x	3.480	2.216	0.000
y	2.216	5.875	0.000
z	0.000	0.000	1.821

<r²>	54.349
(<r²>)^1/2	7.372