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	hartrees
Energy at 0K	-527.776821
Energy at 298.15K
HF Energy	-527.610903
Nuclear repulsion energy	96.185918

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'	1291	1225	11.12	12.86	0.61	0.76
2	A'	1158	1098	121.40	8.48	0.63	0.77
3	A'	311	295	38.35	6.07	0.38	0.55

Atom	x (Å)	y (Å)
S1	0.000	0.321
N2	1.419	-0.171
O3	-1.241	-0.492

	S1	N2	O3
S1		1.5015	1.4837
N2	1.5015		2.6794
O3	1.4837	2.6794

Number	Element	Mulliken
1	S	0.786
2	N	-0.316
3	O	-0.470

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

using model chemistry: B2PLYP=FULLultrafine/6-31G*

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
	-0.095	1.326	0.000	1.329
CHELPG
AIM
ESP

	x	y	z
x	5.366	-0.017	-0.000
y	-0.017	2.315	-0.000
z	-0.000	-0.000	2.081

<r²>	45.288
(<r²>)^1/2	6.730