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	hartrees
Energy at 0K	-871.250592
Energy at 298.15K
HF Energy	-871.250592
Nuclear repulsion energy	139.299736

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'	1170	1125	138.56	17.33	0.38	0.56
2	A'	694	667	43.13	24.75	0.25	0.40
3	A'	373	359	10.08	7.88	0.64	0.78

Atom	x (Å)	y (Å)
O1	1.488	0.795
S2	0.000	0.685
S3	-0.744	-1.082

	O1	S2	S3
O1		1.4918	2.9159
S2	1.4918		1.9171
S3	2.9159	1.9171

Number	Element	Mulliken
1	O	-0.353
2	S	0.509
3	S	-0.155

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

using model chemistry: HSEh1PBE/cc-pVDZ

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
	-1.434	0.630	0.000	1.566
CHELPG
AIM
ESP

	x	y	z
x	5.276	2.543	0.000
y	2.543	6.579	0.000
z	0.000	0.000	2.493

<r²>	77.136
(<r²>)^1/2	8.783