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	hartrees
Energy at 0K	-527.856040
Energy at 298.15K	-527.856874
HF Energy	-527.856040
Nuclear repulsion energy	87.427977

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'	1587	1587	412.13	16.00	0.72	0.84
2	A'	786	786	25.51	18.82	0.15	0.27
3	A'	503	503	1.25	2.14	0.34	0.51

Atom	x (Å)	y (Å)
N1	0.000	0.627
S2	-0.518	-0.891
O3	1.035	1.232

	N1	S2	O3
N1		1.6038	1.1988
S2	1.6038		2.6300
O3	1.1988	2.6300

Number	Element	Mulliken
1	N	0.105
2	S	0.426
3	O	-0.531

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

using model chemistry: PBEPBE/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
	-0.324	-0.613	0.000	0.693
CHELPG
AIM
ESP

	x	y	z
x	5.482	1.910	0.000
y	1.910	7.290	0.000
z	0.000	0.000	3.765

<r²>	55.221
(<r²>)^1/2	7.431