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	hartrees
Energy at 0K	-527.912298
Energy at 298.15K	-527.913007
HF Energy	-527.713083
Nuclear repulsion energy	96.631174

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'	1275	1223	19.14	5.45	0.72	0.84
2	A'	1155	1108	95.76	12.01	0.47	0.64
3	A'	305	292	33.51	7.32	0.32	0.48

Atom	x (Å)	y (Å)
S1	0.000	0.327
N2	1.407	-0.199
O3	-1.231	-0.480

	S1	N2	O3
S1		1.5023	1.4722
N2	1.5023		2.6529
O3	1.4722	2.6529

Number	Element	Mulliken
1	S	0.603
2	N	-0.232
3	O	-0.372

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

using model chemistry: B2PLYP/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
	-0.101	1.336	0.000	1.340
CHELPG
AIM
ESP

	x	y	z
x	5.675	0.029	0.000
y	0.029	2.813	0.000
z	0.000	0.000	2.449

<r²>	44.892
(<r²>)^1/2	6.700