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	hartrees
Energy at 0K	-871.413050
Energy at 298.15K
HF Energy	-871.413050
Nuclear repulsion energy	126.500665

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'	873	873	54.87	12.66	0.35	0.51
2	A'	489	489	18.68	20.76	0.28	0.44
3	A'	275	275	7.02	13.37	0.65	0.79

Atom	x (Å)	y (Å)
O1	1.648	0.812
S2	0.000	0.770
S3	-0.824	-1.177

	O1	S2	S3
O1		1.6490	3.1733
S2	1.6490		2.1141
S3	3.1733	2.1141

Number	Element	Mulliken
1	O	-0.433
2	S	0.515
3	S	-0.082

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

using model chemistry: B97D3/6-31G

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
	-1.535	0.861	0.000	1.760
CHELPG
AIM
ESP

	x	y	z
x	6.263	3.451	0.000
y	3.451	7.509	0.000
z	0.000	0.000	2.134

<r²>	89.649
(<r²>)^1/2	9.468