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	hartrees
Energy at 0K	-528.106554
Energy at 298.15K	-528.107265
HF Energy	-528.106554
Nuclear repulsion energy	97.568740

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'	1268	1268	104.49	7.72	0.56	0.72
2	A'	1058	1058	15.30	27.59	0.14	0.25
3	A'	318	318	31.43	3.87	0.59	0.75

Atom	x (Å)	y (Å)
S1	0.000	0.338
N2	1.384	-0.249
O3	-1.211	-0.458

	S1	N2	O3
S1		1.5030	1.4489
N2	1.5030		2.6026
O3	1.4489	2.6026

Number	Element	Mulliken
1	S	0.615
2	N	-0.284
3	O	-0.331

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

using model chemistry: mPW1PW91/6-311+G(3df,2p)

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
	-0.004	1.293	0.000	1.293
CHELPG
AIM
ESP

	x	y	z
x	6.030	-0.024	0.000
y	-0.024	3.567	0.000
z	0.000	0.000	3.110

<r²>	44.140
(<r²>)^1/2	6.644