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	hartrees
Energy at 0K	-527.743431
Energy at 298.15K	-527.744086
HF Energy	-527.743431
Nuclear repulsion energy	94.439724

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'	1132	1119	61.42	7.63	0.70	0.83
2	A'	960	949	26.68	33.14	0.24	0.38
3	A'	299	296	22.50	4.93	0.71	0.83

Atom	x (Å)	y (Å)
S1	0.000	0.316
N2	1.454	-0.158
O3	-1.272	-0.494

	S1	N2	O3
S1		1.5296	1.5084
N2	1.5296		2.7471
O3	1.5084	2.7471

Number	Element	Mulliken
1	S	0.667
2	N	-0.255
3	O	-0.412

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

using model chemistry: PBEPBEultrafine/6-31+G**

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
	-0.051	1.160	0.000	1.161
CHELPG
AIM
ESP

	x	y	z
x	6.921	0.188	0.000
y	0.188	3.185	0.000
z	0.000	0.000	2.632

<r²>	46.870
(<r²>)^1/2	6.846