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	hartrees
Energy at 0K	-527.817724
Energy at 298.15K	-527.818587
HF Energy	-527.817724
Nuclear repulsion energy	88.634212

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'	1748	1674	476.08	18.28	0.44	0.61
2	A'	841	806	32.78	16.70	0.16	0.28
3	A'	513	492	2.67	1.43	0.73	0.84

Atom	x (Å)	y (Å)
N1	0.000	0.613
S2	-0.500	-0.888
O3	0.999	1.239

	N1	S2	O3
N1		1.5815	1.1794
S2	1.5815		2.6020
O3	1.1794	2.6020

Number	Element	Mulliken
1	N	0.272
2	S	-0.067
3	O	-0.206

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

using model chemistry: HSEh1PBE/6-31G(2df,p)

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
	-0.226	-0.380	0.000	0.442
CHELPG
AIM
ESP

	x	y	z
x	3.980	1.911	0.000
y	1.911	6.026	0.000
z	0.000	0.000	2.587

<r²>	53.924
(<r²>)^1/2	7.343