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	hartrees
Energy at 0K	-36.234668
Energy at 298.15K
HF Energy	-36.234668
Nuclear repulsion energy	28.998060

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'	1134	1099	154.70	21.31	0.41	0.58
2	A'	661	641	45.24	29.70	0.23	0.37
3	A'	365	354	10.54	8.52	0.62	0.77

Atom	x (Å)	y (Å)
O1	1.494	0.818
S2	0.000	0.690
S3	-0.747	-1.099

	O1	S2	S3
O1		1.4991	2.9482
S2	1.4991		1.9383
S3	2.9482	1.9383

Number	Element	Mulliken
1	O	-0.340
2	S	0.474
3	S	-0.134

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

using model chemistry: B3LYP/CEP-121G*

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
	-1.570	0.527	0.000	1.656
CHELPG
AIM
ESP

	x	y	z
x	6.040	2.719	0.000
y	2.719	7.447	0.000
z	0.000	0.000	3.004

<r²>	49.474
(<r²>)^1/2	7.034