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	hartrees
Energy at 0K	-861.349733
Energy at 298.15K
HF Energy	-861.349733
Nuclear repulsion energy	133.142433

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'	1050	927	19.40	7.13	0.28	0.43
2	A'	706	624	2.34	10.62	0.26	0.41
3	A'	336	297	8.11	5.58	0.68	0.81

Atom	x (Å)	y (Å)
O1	1.610	0.630
S2	0.000	0.750
S3	-0.805	-1.065

	O1	S2	S3
O1		1.6144	2.9507
S2	1.6144		1.9854
S3	2.9507	1.9854

Number	Element	Mulliken
1	O	-0.250
2	S	0.343
3	S	-0.092

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

using model chemistry: HSEh1PBE/STO-3G

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
	-0.811	0.860	0.000	1.182
CHELPG
AIM
ESP

	x	y	z
x	3.426	2.069	0.000
y	2.069	3.340	0.000
z	0.000	0.000	0.850

<r²>	78.332
(<r²>)^1/2	8.851