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	hartrees
Energy at 0K	-527.760752
Energy at 298.15K	-527.761458
HF Energy	-527.760752
Nuclear repulsion energy	95.680688

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'	1198	1185	38.71	4.93	0.71	0.83
2	A'	991	980	22.25	25.25	0.22	0.36
3	A'	331	328	14.98	2.98	0.58	0.73

Atom	x (Å)	y (Å)
S1	0.000	0.301
N2	1.445	-0.144
O3	-1.264	-0.477

	S1	N2	O3
S1		1.5119	1.4846
N2	1.5119		2.7297
O3	1.4846	2.7297

Number	Element	Mulliken
1	S	0.351
2	N	-0.184
3	O	-0.167

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

using model chemistry: PBEPBEultrafine/6-31G(2df,p)

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
	-0.293	0.876	0.000	0.924
CHELPG
AIM
ESP

	x	y	z
x	5.686	0.048	0.000
y	0.048	2.931	0.000
z	0.000	0.000	2.560

<r²>	45.504
(<r²>)^1/2	6.746