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	hartrees
Energy at 0K	-527.792364
Energy at 298.15K	-527.793048
HF Energy	-527.792364
Nuclear repulsion energy	94.909558

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'	1144	1132	45.28	5.57	0.73	0.84
2	A'	962	952	27.05	25.12	0.29	0.45
3	A'	323	319	21.05	4.51	0.63	0.78

Atom	x (Å)	y (Å)
S1	0.000	0.307
N2	1.452	-0.140
O3	-1.271	-0.492

	S1	N2	O3
S1		1.5199	1.5012
N2	1.5199		2.7458
O3	1.5012	2.7458

Number	Element	Mulliken
1	S	0.678
2	N	-0.295
3	O	-0.383

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

using model chemistry: PBEPBEultrafine/6-311G*

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
	-0.127	1.111	0.000	1.119
CHELPG
AIM
ESP

	x	y	z
x	5.990	0.135	0.000
y	0.135	2.553	0.000
z	0.000	0.000	2.069

<r²>	46.442
(<r²>)^1/2	6.815