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	hartrees
Energy at 0K	-527.795017
Energy at 298.15K
HF Energy	-527.629713
Nuclear repulsion energy	95.435641

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'	1238	1186	3.44	14.56	0.38	0.55
2	A'	1111	1065	128.78	5.42	0.66	0.79
3	A'	287	275	33.41	7.27	0.50	0.67

Atom	x (Å)	y (Å)
S1	0.000	0.322
N2	1.429	-0.158
O3	-1.250	-0.506

	S1	N2	O3
S1		1.5076	1.5001
N2	1.5076		2.7020
O3	1.5001	2.7020

Number	Element	Mulliken
1	S	0.677
2	N	-0.270
3	O	-0.407

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

using model chemistry: B2PLYP=FULLultrafine/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
	-0.007	1.407	0.000	1.407
CHELPG
AIM
ESP

	x	y	z
x	5.306	-0.033	-0.000
y	-0.033	2.179	0.000
z	-0.000	0.000	1.873

<r²>	45.664
(<r²>)^1/2	6.757