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	hartrees
Energy at 0K	-527.777634
Energy at 298.15K	-527.778240
HF Energy	-527.777634
Nuclear repulsion energy	93.399341

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	1078	55.99	6.95	0.67	0.81
2	A'	940	935	23.96	33.17	0.15	0.26
3	A'	264	262	20.00	4.78	0.60	0.75

Atom	x (Å)	y (Å)
S1	0.000	0.332
N2	1.460	-0.181
O3	-1.277	-0.506

	S1	N2	O3
S1		1.5471	1.5277
N2	1.5471		2.7561
O3	1.5277	2.7561

Number	Element	Mulliken
1	S	1.005
2	N	-0.452
3	O	-0.553

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

using model chemistry: PBEPBEultrafine/aug-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
	0.022	1.174	0.000	1.174
CHELPG
AIM
ESP

	x	y	z
x	7.034	0.210	0.000
y	0.210	3.813	0.000
z	0.000	0.000	3.254

<r²>	47.315
(<r²>)^1/2	6.879