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	hartrees
Energy at 0K	-528.144247
Energy at 298.15K	-528.144941
HF Energy	-528.144247
Nuclear repulsion energy	97.029537

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'	1222	1181	98.15	7.99	0.58	0.73
2	A'	1028	994	16.16	28.65	0.15	0.25
3	A'	311	301	30.89	4.16	0.60	0.75

Atom	x (Å)	y (Å)
S1	0.000	0.338
N2	1.393	-0.243
O3	-1.218	-0.464

	S1	N2	O3
S1		1.5088	1.4586
N2	1.5088		2.6203
O3	1.4586	2.6203

Number	Element	Mulliken
1	S	0.618
2	N	-0.281
3	O	-0.337

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

using model chemistry: B3LYP/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
	-0.005	1.330	0.000	1.330
CHELPG
AIM
ESP

	x	y	z
x	6.188	-0.001	0.000
y	-0.001	3.627	0.000
z	0.000	0.000	3.146

<r²>	44.629
(<r²>)^1/2	6.681