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	hartrees
Energy at 0K	-528.138474
Energy at 298.15K	-528.139177
HF Energy	-528.138474
Nuclear repulsion energy	97.764529

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'	1277	1277	95.08	7.83	0.52	0.69
2	A'	1062	1062	20.57	22.86	0.23	0.37
3	A'	312	312	28.33	5.03	0.59	0.74

Atom	x (Å)	y (Å)
S1	0.000	0.327
N2	1.390	-0.221
O3	-1.216	-0.460

	S1	N2	O3
S1		1.4940	1.4483
N2	1.4940		2.6166
O3	1.4483	2.6166

Number	Element	Mulliken
1	S	0.581
2	N	-0.212
3	O	-0.369

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

using model chemistry: B1B95/Def2TZVPP

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
	-0.053	1.286	0.000	1.287
CHELPG
AIM
ESP

	x	y	z
x	5.773	-0.064	0.000
y	-0.064	3.033	0.000
z	0.000	0.000	2.476

<r²>	44.018
(<r²>)^1/2	6.635