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	hartrees
Energy at 0K	-527.812673
Energy at 298.15K	-527.813504
HF Energy	-527.812673
Nuclear repulsion energy	86.693757

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'	1601	1591	406.83	15.96	0.68	0.81
2	A'	771	767	27.78	20.17	0.14	0.25
3	A'	500	497	0.79	2.35	0.43	0.60

Atom	x (Å)	y (Å)
N1	0.000	0.643
S2	-0.526	-0.895
O3	1.053	1.227

	N1	S2	O3
N1		1.6251	1.2040
S2	1.6251		2.6449
O3	1.2040	2.6449

Number	Element	Mulliken
1	N	0.067
2	S	0.280
3	O	-0.348

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

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
	-0.282	-0.577	0.000	0.642
CHELPG
AIM
ESP

	x	y	z
x	5.308	2.012	0.000
y	2.012	7.210	0.000
z	0.000	0.000	3.528

<r²>	55.867
(<r²>)^1/2	7.474