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	hartrees
Energy at 0K	-527.922115
Energy at 298.15K	-527.922507
HF Energy	-527.922115
Nuclear repulsion energy	84.925347

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'	839	807	5.07	20.72	0.40	0.57
2	A'	582	560	6.98	7.33	0.28	0.43
3	A'	253	243	15.67	9.43	0.75	0.86

Atom	x (Å)	y (Å)
S1	0.000	0.478
N2	1.491	-0.460
O3	-1.305	-0.555

	S1	N2	O3
S1		1.7619	1.6644
N2	1.7619		2.7979
O3	1.6644	2.7979

Number	Element	Mulliken
1	S	0.726
2	N	-0.268
3	O	-0.458

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

using model chemistry: TPSSh/6-31G

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
	0.753	1.687	0.000	1.847
CHELPG
AIM
ESP

	x	y	z
x	6.187	0.048	0.000
y	0.048	3.249	0.000
z	0.000	0.000	1.883

<r²>	52.227
(<r²>)^1/2	7.227