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	hartrees
Energy at 0K	-528.130582
Energy at 298.15K	-528.131276
HF Energy	-528.130582
Nuclear repulsion energy	96.900628

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'	1234	1234	101.38	7.41	0.55	0.71
2	A'	1045	1045	15.13	31.47	0.12	0.22
3	A'	310	310	31.10	3.60	0.61	0.76

Atom	x (Å)	y (Å)
S1	0.000	0.344
N2	1.389	-0.250
O3	-1.215	-0.469

	S1	N2	O3
S1		1.5105	1.4622
N2	1.5105		2.6128
O3	1.4622	2.6128

Number	Element	Mulliken
1	S	1.438
2	N	-0.691
3	O	-0.747

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

using model chemistry: B1B95/daug-cc-pVTZ

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
	0.065	1.374	0.000	1.375
CHELPG
AIM
ESP

	x	y	z
x	6.228	-0.004	0.000
y	-0.004	3.705	0.000
z	0.000	0.000	3.239

<r²>	44.480
(<r²>)^1/2	6.669