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	hartrees
Energy at 0K	-527.803230
Energy at 298.15K	-527.803878
HF Energy	-527.803230
Nuclear repulsion energy	94.194341

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'	1113	1101	55.69	7.95	0.65	0.79
2	A'	951	941	26.99	29.55	0.26	0.42
3	A'	294	291	23.18	5.85	0.69	0.82

Atom	x (Å)	y (Å)
S1	0.000	0.320
N2	1.455	-0.161
O3	-1.273	-0.499

	S1	N2	O3
S1		1.5325	1.5140
N2	1.5325		2.7490
O3	1.5140	2.7490

Number	Element	Mulliken
1	S	0.479
2	N	-0.178
3	O	-0.301

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

using model chemistry: PBEPBEultrafine/TZVP

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
	-0.024	1.188	0.000	1.188
CHELPG
AIM
ESP

	x	y	z
x	6.536	0.130	0.000
y	0.130	2.860	0.000
z	0.000	0.000	2.139

<r²>	46.881
(<r²>)^1/2	6.847