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	hartrees
Energy at 0K	-521.623934
Energy at 298.15K	-521.624428
HF Energy	-521.623934
Nuclear repulsion energy	85.643467

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'	958	846	7.67	4.88	0.29	0.44
2	A'	767	677	9.10	4.10	0.42	0.59
3	A'	309	273	6.78	3.80	0.70	0.82

Atom	x (Å)	y (Å)
S1	0.000	0.524
N2	1.413	-0.550
O3	-1.237	-0.567

	S1	N2	O3
S1		1.7754	1.6489
N2	1.7754		2.6500
O3	1.6489	2.6500

Number	Element	Mulliken
1	S	0.337
2	N	-0.143
3	O	-0.194

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

using model chemistry: HSEh1PBE/STO-3G

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
	-0.053	1.056	0.000	1.057
CHELPG
AIM
ESP

	x	y	z
x	3.203	0.022	0.000
y	0.022	1.641	0.000
z	0.000	0.000	0.668

<r²>	48.405
(<r²>)^1/2	6.957