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	hartrees
Energy at 0K	-528.034901
Energy at 298.15K	-528.035590
HF Energy	-528.034901
Nuclear repulsion energy	95.300730

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'	1173	1127	76.24	7.83	0.53	0.69
2	A'	984	946	8.83	21.00	0.24	0.39
3	A'	321	309	37.08	4.06	0.69	0.81

Atom	x (Å)	y (Å)
S1	0.000	0.350
N2	1.411	-0.255
O3	-1.235	-0.478

	S1	N2	O3
S1		1.5358	1.4870
N2	1.5358		2.6559
O3	1.4870	2.6559

Number	Element	Mulliken
1	S	0.748
2	N	-0.292
3	O	-0.457

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

using model chemistry: B3LYPultrafine/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
	0.081	1.421	0.000	1.424
CHELPG
AIM
ESP

	x	y	z
x	5.363	-0.041	0.000
y	-0.041	2.597	0.000
z	0.000	0.000	2.115

<r²>	45.374
(<r²>)^1/2	6.736