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	hartrees
Energy at 0K	-524.995810
Energy at 298.15K	-524.996303
HF Energy	-524.995810
Nuclear repulsion energy	87.103052

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'	911	903	9.03	9.27	0.40	0.57
2	A'	688	682	7.23	12.01	0.24	0.39
3	A'	269	266	17.22	6.74	0.75	0.86

Atom	x (Å)	y (Å)
S1	0.000	0.397
N2	1.530	-0.293
O3	-1.339	-0.537

	S1	N2	O3
S1		1.6784	1.6322
N2	1.6784		2.8791
O3	1.6322	2.8791

Number	Element	Mulliken
1	S	0.774
2	N	-0.352
3	O	-0.422

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

using model chemistry: PBEPBEultrafine/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
	0.184	1.188	0.000	1.202
CHELPG
AIM
ESP

	x	y	z
x	5.743	0.070	0.000
y	0.070	2.356	0.000
z	0.000	0.000	1.597

<r²>	51.390
(<r²>)^1/2	7.169