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	hartrees
Energy at 0K	-528.070232
Energy at 298.15K	-528.070901
HF Energy	-528.070232
Nuclear repulsion energy	95.041245

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'	1156	1108	96.81	8.41	0.57	0.73
2	A'	1004	961	9.31	32.68	0.12	0.21
3	A'	297	285	32.04	4.09	0.69	0.82

Atom	x (Å)	y (Å)
S1	0.000	0.366
N2	1.399	-0.275
O3	-1.225	-0.493

	S1	N2	O3
S1		1.5393	1.4958
N2	1.5393		2.6330
O3	1.4958	2.6330

Number	Element	Mulliken
1	S	1.102
2	N	-0.479
3	O	-0.623

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

using model chemistry: B1B95/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
	0.257	1.551	0.000	1.573
CHELPG
AIM
ESP

	x	y	z
x	6.324	0.041	0.000
y	0.041	3.701	0.000
z	0.000	0.000	3.112

<r²>	45.513
(<r²>)^1/2	6.746