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	hartrees
Energy at 0K	-527.733550
Energy at 298.15K	-527.734233
HF Energy	-527.733550
Nuclear repulsion energy	94.501485

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'	1151	1132	42.79	5.96	0.66	0.80
2	A'	968	952	20.22	23.63	0.27	0.43
3	A'	323	318	19.90	3.83	0.63	0.77

Atom	x (Å)	y (Å)
S1	0.000	0.311
N2	1.457	-0.150
O3	-1.275	-0.491

	S1	N2	O3
S1		1.5283	1.5066
N2	1.5283		2.7533
O3	1.5066	2.7533

Number	Element	Mulliken
1	S	0.690
2	N	-0.296
3	O	-0.394

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

using model chemistry: PBEPBEultrafine/6-31G*

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
	-0.172	0.995	0.000	1.009
CHELPG
AIM
ESP

	x	y	z
x	5.767	0.098	0.000
y	0.098	2.571	0.000
z	0.000	0.000	2.142

<r²>	46.426
(<r²>)^1/2	6.814