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	hartrees
Energy at 0K	-528.043939
Energy at 298.15K	-528.044630
HF Energy	-528.043939
Nuclear repulsion energy	97.257338

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'	1250	1250	92.58	8.34	0.51	0.68
2	A'	1038	1038	17.78	22.40	0.22	0.36
3	A'	306	306	29.07	5.35	0.60	0.75

Atom	x (Å)	y (Å)
S1	0.000	0.332
N2	1.394	-0.231
O3	-1.220	-0.462

	S1	N2	O3
S1		1.5035	1.4553
N2	1.5035		2.6236
O3	1.4553	2.6236

Number	Element	Mulliken
1	S	0.557
2	N	-0.197
3	O	-0.360

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

using model chemistry: B3PW91/Def2TZVPP

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
	-0.043	1.287	0.000	1.288
CHELPG
AIM
ESP

	x	y	z
x	5.825	-0.060	0.000
y	-0.060	3.076	0.000
z	0.000	0.000	2.494

<r²>	44.298
(<r²>)^1/2	6.656