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	hartrees
Energy at 0K	-871.076092
Energy at 298.15K
HF Energy	-871.076092
Nuclear repulsion energy	129.292874

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'	943	902	61.26	15.14	0.36	0.53
2	A'	557	533	18.45	25.65	0.28	0.44
3	A'	297	284	10.28	12.33	0.67	0.80

Atom	x (Å)	y (Å)
O1	1.622	0.770
S2	0.000	0.756
S3	-0.811	-1.141

	O1	S2	S3
O1		1.6221	3.0938
S2	1.6221		2.0638
S3	3.0938	2.0638

Number	Element	Mulliken
1	O	-0.482
2	S	0.567
3	S	-0.084

All results from a given calculation for SSO (Disulfur monoxide)

using model chemistry: HSEh1PBE/6-31G

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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You are here: Calculated > Energy > Optimized > Energy

	x	y	z	Total
	-1.718	0.911	0.000	1.945
CHELPG
AIM
ESP

	x	y	z
x	6.238	3.411	0.000
y	3.411	7.291	0.000
z	0.000	0.000	2.122

<r²>	86.686
(<r²>)^1/2	9.311