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	hartrees
Energy at 0K	-521.846915
Energy at 298.15K	-521.847432
HF Energy	-521.846915
Nuclear repulsion energy	85.993140

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'	984	984	11.54	5.53	0.30	0.46
2	A'	780	780	13.81	4.57	0.42	0.60
3	A'	318	318	6.88	3.78	0.71	0.83

Atom	x (Å)	y (Å)
S1	0.000	0.527
N2	1.401	-0.562
O3	-1.226	-0.562

	S1	N2	O3
S1		1.7746	1.6395
N2	1.7746		2.6268
O3	1.6395	2.6268

Number	Element	Mulliken
1	S	0.340
2	N	-0.135
3	O	-0.205

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

using model chemistry: M06-2X/STO-3G

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
	0.064	1.036	0.000	1.038
CHELPG
AIM
ESP

	x	y	z
x	3.120	0.013	0.000
y	0.013	1.644	0.000
z	0.000	0.000	0.653

<r²>	48.054
(<r²>)^1/2	6.932