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	hartrees
Energy at 0K	-527.887169
Energy at 298.15K	-527.888035
HF Energy	-527.887169
Nuclear repulsion energy	88.623528

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'	1722	1655	513.77	21.94	0.41	0.58
2	A'	837	804	34.64	16.95	0.19	0.31
3	A'	515	495	2.44	1.96	0.74	0.85

Atom	x (Å)	y (Å)
N1	0.000	0.615
S2	-0.499	-0.888
O3	0.999	1.238

	N1	S2	O3
N1		1.5844	1.1771
S2	1.5844		2.6013
O3	1.1771	2.6013

Number	Element	Mulliken
1	N	0.085
2	S	0.026
3	O	-0.111

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

using model chemistry: HSEh1PBE/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
	-0.298	-0.507	0.000	0.588
CHELPG
AIM
ESP

	x	y	z
x	4.051	2.059	0.000
y	2.059	6.235	0.000
z	0.000	0.000	2.527

<r²>	54.070
(<r²>)^1/2	7.353