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	hartrees
Energy at 0K	-527.785404
Energy at 298.15K	-527.786088
HF Energy	-527.785404
Nuclear repulsion energy	94.793846

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'	1153	1108	97.71	9.13	0.56	0.72
2	A'	997	959	6.89	34.61	0.11	0.20
3	A'	311	299	32.86	4.00	0.71	0.83

Atom	x (Å)	y (Å)
S1	0.000	0.374
N2	1.396	-0.291
O3	-1.222	-0.493

	S1	N2	O3
S1		1.5469	1.4987
N2	1.5469		2.6262
O3	1.4987	2.6262

Number	Element	Mulliken
1	S	1.132
2	N	-0.494
3	O	-0.637

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

using model chemistry: PBE1PBE/aug-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
	0.275	1.583	0.000	1.607
CHELPG
AIM
ESP

	x	y	z
x	6.316	0.025	0.000
y	0.025	3.758	0.000
z	0.000	0.000	3.136

<r²>	45.612
(<r²>)^1/2	6.754