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	hartrees
Energy at 0K	-527.869698
Energy at 298.15K	-527.870407
HF Energy	-527.869698
Nuclear repulsion energy	96.646991

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'	1236	1188	94.00	7.98	0.53	0.70
2	A'	1039	998	11.95	22.46	0.21	0.34
3	A'	321	309	33.61	4.59	0.61	0.76

Atom	x (Å)	y (Å)
S1	0.000	0.349
N2	1.389	-0.263
O3	-1.216	-0.467

	S1	N2	O3
S1		1.5182	1.4639
N2	1.5182		2.6130
O3	1.4639	2.6130

Number	Element	Mulliken
1	S	0.588
2	N	-0.216
3	O	-0.372

All results from a given calculation for NSO (sulfinyl amidogen)

using model chemistry: HSEh1PBE/cc-pVTZ

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
	0.053	1.420	0.000	1.421
CHELPG
AIM
ESP

	x	y	z
x	5.577	-0.063	0.000
y	-0.063	3.009	0.000
z	0.000	0.000	2.464

<r²>	44.461
(<r²>)^1/2	6.668