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	hartrees
Energy at 0K	-527.874082
Energy at 298.15K	-527.874791
HF Energy	-527.874082
Nuclear repulsion energy	96.582630

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'	1224	1177	104.71	8.32	0.54	0.70
2	A'	1036	996	11.00	32.03	0.12	0.22
3	A'	321	309	33.58	3.61	0.64	0.78

Atom	x (Å)	y (Å)
S1	0.000	0.354
N2	1.386	-0.272
O3	-1.212	-0.469

	S1	N2	O3
S1		1.5204	1.4652
N2	1.5204		2.6056
O3	1.4652	2.6056

Number	Element	Mulliken
1	S	1.014
2	N	-0.437
3	O	-0.577

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

using model chemistry: HSEh1PBE/aug-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
	0.093	1.423	0.000	1.426
CHELPG
AIM
ESP

	x	y	z
x	6.182	-0.015	0.000
y	-0.015	3.728	0.000
z	0.000	0.000	3.217

<r²>	44.617
(<r²>)^1/2	6.680