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	hartrees
Energy at 0K	-527.800989
Energy at 298.15K	-527.801852
HF Energy	-527.800989
Nuclear repulsion energy	88.143714

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'	1748	1669	472.86	19.02	0.39	0.56
2	A'	835	797	35.88	15.67	0.21	0.35
3	A'	520	496	2.20	2.47	0.75	0.85

Atom	x (Å)	y (Å)
N1	0.000	0.624
S2	-0.511	-0.886
O3	1.022	1.226

	N1	S2	O3
N1		1.5935	1.1859
S2	1.5935		2.6090
O3	1.1859	2.6090

Number	Element	Mulliken
1	N	0.081
2	S	0.129
3	O	-0.210

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

using model chemistry: HSEh1PBE/6-31G**

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
	-0.227	-0.424	0.000	0.481
CHELPG
AIM
ESP

	x	y	z
x	3.576	2.111	0.000
y	2.111	5.758	0.000
z	0.000	0.000	1.991

<r²>	54.349
(<r²>)^1/2	7.372