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	hartrees
Energy at 0K	-527.778626
Energy at 298.15K	-527.779233
HF Energy	-527.778626
Nuclear repulsion energy	93.427705

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'	1085	1085	56.81	6.41	0.66	0.79
2	A'	940	940	24.52	35.34	0.14	0.24
3	A'	264	264	19.71	4.32	0.59	0.74

Atom	x (Å)	y (Å)
S1	0.000	0.332
N2	1.459	-0.180
O3	-1.277	-0.506

	S1	N2	O3
S1		1.5467	1.5271
N2	1.5467		2.7558
O3	1.5271	2.7558

Number	Element	Mulliken
1	S	0.952
2	N	-0.367
3	O	-0.585

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

using model chemistry: PBEPBEultrafine/daug-cc-pVDZ

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
	0.018	1.161	0.000	1.161
CHELPG
AIM
ESP

	x	y	z
x	7.121	0.198	0.000
y	0.198	3.950	0.000
z	0.000	0.000	3.437

<r²>	47.289
(<r²>)^1/2	6.877