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	hartrees
Energy at 0K	-524.983292
Energy at 298.15K	-524.983709
HF Energy	-524.900098
Nuclear repulsion energy	85.063015

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'	891	891	6.81	27.89	0.39	0.56
2	A'	543	543	9.73	5.48	0.46	0.63
3	A'	278	278	12.14	8.01	0.75	0.85

Atom	x (Å)	y (Å)
S1	0.000	0.472
N2	1.500	-0.501
O3	-1.313	-0.506

	S1	N2	O3
S1		1.7880	1.6368
N2	1.7880		2.8131
O3	1.6368	2.8131

Number	Element	Mulliken
1	S	0.697
2	N	-0.269
3	O	-0.428

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

using model chemistry: B2PLYP/3-21G

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
	0.565	1.359	0.000	1.472
CHELPG
AIM
ESP

	x	y	z
x	5.482	0.082	-0.000
y	0.082	2.877	0.000
z	-0.000	0.000	1.600

<r²>	52.177
(<r²>)^1/2	7.223