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	hartrees
Energy at 0K	-527.919504
Energy at 298.15K	-527.920191
HF Energy	-527.719478
Nuclear repulsion energy	97.226984

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'	1259	1259	44.20	2.91	0.50	0.67
2	A'	1137	1137	65.40	21.01	0.36	0.53
3	A'	290	290	29.13	7.21	0.32	0.49

Atom	x (Å)	y (Å)
S1	0.000	0.322
N2	1.402	-0.199
O3	-1.227	-0.470

	S1	N2	O3
S1		1.4958	1.4601
N2	1.4958		2.6425
O3	1.4601	2.6425

Number	Element	Mulliken
1	S	0.646
2	N	-0.302
3	O	-0.343

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

using model chemistry: B2PLYP/6-311+G(3df,2p)

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
	-0.127	1.221	0.000	1.227
CHELPG
AIM
ESP

	x	y	z
x	6.219	0.078	0.001
y	0.078	3.517	0.000
z	0.001	0.000	3.136

<r²>	44.761
(<r²>)^1/2	6.690