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	hartrees
Energy at 0K	-528.159175
Energy at 298.15K	-528.160023
HF Energy	-528.159175
Nuclear repulsion energy	87.887540

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'	1643	1591	449.18	18.99	0.41	0.59
2	A'	803	778	30.20	16.90	0.19	0.32
3	A'	508	492	1.88	2.26	0.72	0.83

Atom	x (Å)	y (Å)
N1	0.000	0.622
S2	-0.508	-0.892
O3	1.016	1.239

	N1	S2	O3
N1		1.5973	1.1887
S2	1.5973		2.6200
O3	1.1887	2.6200

Number	Element	Mulliken
1	N	0.079
2	S	0.036
3	O	-0.115

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

using model chemistry: TPSSh/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
	-0.263	-0.496	0.000	0.561
CHELPG
AIM
ESP

	x	y	z
x	4.103	2.092	0.000
y	2.092	6.244	0.000
z	0.000	0.000	2.530

<r²>	54.644
(<r²>)^1/2	7.392