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	hartrees
Energy at 0K	-528.057154
Energy at 298.15K	-528.057862
HF Energy	-528.057154
Nuclear repulsion energy	97.337312

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'	1270	1216	76.13	6.09	0.52	0.68
2	A'	1053	1009	16.45	20.12	0.21	0.35
3	A'	318	305	26.09	3.54	0.54	0.70

Atom	x (Å)	y (Å)
S1	0.000	0.328
N2	1.396	-0.225
O3	-1.222	-0.459

	S1	N2	O3
S1		1.5019	1.4535
N2	1.5019		2.6282
O3	1.4535	2.6282

Number	Element	Mulliken
1	S	0.395
2	N	-0.174
3	O	-0.221

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

using model chemistry: B1B95/6-31G(2df,p)

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
	-0.090	1.174	0.000	1.177
CHELPG
AIM
ESP

	x	y	z
x	5.255	-0.080	0.000
y	-0.080	2.885	0.000
z	0.000	0.000	2.500

<r²>	44.007
(<r²>)^1/2	6.634