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	hartrees
Energy at 0K	-528.031717
Energy at 298.15K	-528.032431
HF Energy	-528.031717
Nuclear repulsion energy	97.072271

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'	1261	1204	80.54	6.65	0.50	0.67
2	A'	1044	997	12.13	20.67	0.19	0.32
3	A'	325	310	29.56	3.42	0.59	0.74

Atom	x (Å)	y (Å)
S1	0.000	0.339
N2	1.391	-0.252
O3	-1.217	-0.459

	S1	N2	O3
S1		1.5115	1.4555
N2	1.5115		2.6167
O3	1.4555	2.6167

Number	Element	Mulliken
1	S	0.401
2	N	-0.172
3	O	-0.229

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

using model chemistry: mPW1PW91/6-31G(2df,p)

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
	-0.047	1.229	0.000	1.230
CHELPG
AIM
ESP

	x	y	z
x	5.222	-0.091	0.000
y	-0.091	2.920	0.000
z	0.000	0.000	2.514

<r²>	44.057
(<r²>)^1/2	6.638