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	hartrees
Energy at 0K	-528.104449
Energy at 298.15K	-528.105162
HF Energy	-528.104449
Nuclear repulsion energy	96.641446

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'	1226	1174	105.96	8.45	0.54	0.70
2	A'	1037	993	10.55	32.39	0.12	0.22
3	A'	325	311	33.96	3.53	0.65	0.79

Atom	x (Å)	y (Å)
S1	0.000	0.354
N2	1.384	-0.274
O3	-1.211	-0.469

	S1	N2	O3
S1		1.5200	1.4642
N2	1.5200		2.6019
O3	1.4642	2.6019

Number	Element	Mulliken
1	S	1.049
2	N	-0.456
3	O	-0.593

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

using model chemistry: mPW1PW91/aug-cc-pVTZ

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
	0.106	1.437	0.000	1.441
CHELPG
AIM
ESP

	x	y	z
x	6.163	-0.017	0.000
y	-0.017	3.715	0.000
z	0.000	0.000	3.206

<r²>	44.533
(<r²>)^1/2	6.673