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	hartrees
Energy at 0K	-528.064899
Energy at 298.15K	-528.065759
HF Energy	-528.064899
Nuclear repulsion energy	88.855106

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'	1737	1737	670.44	35.49	0.63	0.78
2	A'	850	850	55.39	19.64	0.09	0.16
3	A'	507	507	3.00	0.85	0.66	0.79

Atom	x (Å)	y (Å)
N1	0.000	0.611
S2	-0.494	-0.889
O3	0.988	1.243

	N1	S2	O3
N1		1.5799	1.1731
S2	1.5799		2.5972
O3	1.1731	2.5972

Number	Element	Mulliken
1	N	0.465
2	S	0.144
3	O	-0.610

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

using model chemistry: M06-2X/daug-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
	-0.366	-0.570	0.000	0.677
CHELPG
AIM
ESP

	x	y	z
x	5.203	1.900	0.000
y	1.900	7.166	0.000
z	0.000	0.000	3.656

<r²>	54.116
(<r²>)^1/2	7.356