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	hartrees
Energy at 0K	-527.861482
Energy at 298.15K	-527.862346
HF Energy	-527.861482
Nuclear repulsion energy	88.703881

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'	1714	1714	545.85	24.92	0.67	0.80
2	A'	841	841	36.72	20.19	0.12	0.21
3	A'	517	517	2.28	0.97	0.53	0.69

Atom	x (Å)	y (Å)
N1	0.000	0.614
S2	-0.500	-0.887
O3	0.999	1.237

	N1	S2	O3
N1		1.5816	1.1773
S2	1.5816		2.5991
O3	1.1773	2.5991

Number	Element	Mulliken
1	N	0.181
2	S	0.382
3	O	-0.563

All results from a given calculation for SNO (Nitrogen oxide sulfide)

using model chemistry: PBE1PBE/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
	-0.325	-0.538	0.000	0.628
CHELPG
AIM
ESP

	x	y	z
x	5.219	1.855	0.000
y	1.855	7.098	0.000
z	0.000	0.000	3.641

<r²>	54.129
(<r²>)^1/2	7.357