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	hartrees
Energy at 0K	-528.162104
Energy at 298.15K	-528.162953
HF Energy	-528.162104
Nuclear repulsion energy	87.944363

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'	1632	1576	474.95	21.26	0.66	0.80
2	A'	804	776	31.60	19.86	0.12	0.21
3	A'	508	491	1.73	1.31	0.49	0.66

Atom	x (Å)	y (Å)
N1	0.000	0.621
S2	-0.508	-0.891
O3	1.016	1.238

	N1	S2	O3
N1		1.5951	1.1891
S2	1.5951		2.6186
O3	1.1891	2.6186

Number	Element	Mulliken
1	N	0.098
2	S	0.243
3	O	-0.341

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

using model chemistry: TPSSh/aug-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
	-0.295	-0.540	0.000	0.615
CHELPG
AIM
ESP

	x	y	z
x	5.228	1.904	0.000
y	1.904	7.094	0.000
z	0.000	0.000	3.595

<r²>	54.741
(<r²>)^1/2	7.399