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	hartrees
Energy at 0K	-527.845214
Energy at 298.15K	-527.845922
HF Energy	-527.845214
Nuclear repulsion energy	96.628505

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'	1229	1182	105.05	8.29	0.54	0.70
2	A'	1039	999	11.16	31.75	0.12	0.22
3	A'	320	307	33.32	3.60	0.64	0.78

Atom	x (Å)	y (Å)
S1	0.000	0.353
N2	1.386	-0.271
O3	-1.212	-0.469

	S1	N2	O3
S1		1.5195	1.4645
N2	1.5195		2.6056
O3	1.4645	2.6056

Number	Element	Mulliken
1	S	0.999
2	N	-0.430
3	O	-0.570

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

using model chemistry: PBE1PBE/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
	0.090	1.414	0.000	1.417
CHELPG
AIM
ESP

	x	y	z
x	6.179	-0.016	0.000
y	-0.016	3.722	0.000
z	0.000	0.000	3.215

<r²>	44.593
(<r²>)^1/2	6.678