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	hartrees
Energy at 0K	-527.840810
Energy at 298.15K	-527.841519
HF Energy	-527.840810
Nuclear repulsion energy	96.695349

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'	1241	1193	94.22	7.95	0.53	0.69
2	A'	1042	1001	12.14	22.27	0.21	0.34
3	A'	320	308	33.30	4.57	0.61	0.76

Atom	x (Å)	y (Å)
S1	0.000	0.348
N2	1.389	-0.262
O3	-1.216	-0.466

	S1	N2	O3
S1		1.5173	1.4632
N2	1.5173		2.6130
O3	1.4632	2.6130

Number	Element	Mulliken
1	S	0.583
2	N	-0.214
3	O	-0.370

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

using model chemistry: PBE1PBE/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
	0.049	1.410	0.000	1.411
CHELPG
AIM
ESP

	x	y	z
x	5.575	-0.064	0.000
y	-0.064	3.005	0.000
z	0.000	0.000	2.465

<r²>	44.433
(<r²>)^1/2	6.666