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	hartrees
Energy at 0K	-871.257830
Energy at 298.15K
HF Energy	-871.062928
Nuclear repulsion energy	140.127506

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'	1155	1103	98.75	16.29	0.39	0.57
2	A'	671	641	38.12	24.06	0.19	0.32
3	A'	374	357	7.36	6.72	0.56	0.72

Atom	x (Å)	y (Å)
O1	1.466	0.822
S2	0.000	0.677
S3	-0.733	-1.088

	O1	S2	S3
O1		1.4729	2.9123
S2	1.4729		1.9112
S3	2.9123	1.9112

Number	Element	Mulliken
1	O	-0.200
2	S	0.344
3	S	-0.145

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

using model chemistry: B2PLYP/6-31G(2df,p)

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
	-1.162	0.453	0.000	1.247
CHELPG
AIM
ESP

	x	y	z
x	5.805	2.266	-0.000
y	2.266	7.193	-0.000
z	-0.000	-0.000	3.394

<r²>	76.702
(<r²>)^1/2	8.758