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	hartrees
Energy at 0K	-527.881929
Energy at 298.15K	-527.882632
HF Energy	-527.881929
Nuclear repulsion energy	97.433765

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'	1264	1264	99.43	8.35	0.51	0.68
2	A'	1051	1051	15.78	22.76	0.21	0.35
3	A'	314	314	31.54	5.08	0.62	0.76

Atom	x (Å)	y (Å)
S1	0.000	0.337
N2	1.386	-0.245
O3	-1.213	-0.460

	S1	N2	O3
S1		1.5039	1.4516
N2	1.5039		2.6083
O3	1.4516	2.6083

Number	Element	Mulliken
1	S	0.568
2	N	-0.200
3	O	-0.367

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

using model chemistry: HSEh1PBE/Def2TZVPP

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
	-0.012	1.330	0.000	1.330
CHELPG
AIM
ESP

	x	y	z
x	5.739	-0.077	0.000
y	-0.077	3.082	0.000
z	0.000	0.000	2.490

<r²>	44.141
(<r²>)^1/2	6.644