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	hartrees
Energy at 0K	-527.762508
Energy at 298.15K	-527.763188
HF Energy	-527.762508
Nuclear repulsion energy	95.031427

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'	1177	1131	79.47	8.06	0.55	0.71
2	A'	996	958	8.71	21.58	0.22	0.36
3	A'	308	296	34.18	4.56	0.71	0.83

Atom	x (Å)	y (Å)
S1	0.000	0.360
N2	1.407	-0.266
O3	-1.231	-0.487

	S1	N2	O3
S1		1.5398	1.4938
N2	1.5398		2.6466
O3	1.4938	2.6466

Number	Element	Mulliken
1	S	0.640
2	N	-0.244
3	O	-0.396

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

using model chemistry: PBE1PBE/cc-pVDZ

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
	0.187	1.535	0.000	1.547
CHELPG
AIM
ESP

	x	y	z
x	5.234	-0.041	0.000
y	-0.041	2.500	0.000
z	0.000	0.000	1.911

<r²>	45.294
(<r²>)^1/2	6.730