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	hartrees
Energy at 0K	-867.008130
Energy at 298.15K
HF Energy	-867.008130
Nuclear repulsion energy	137.869553

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'	1077	1027	80.16	11.02	0.41	0.58
2	A'	652	621	38.80	20.49	0.26	0.42
3	A'	354	338	8.57	8.18	0.66	0.79

Atom	x (Å)	y (Å)
O1	1.507	0.838
S2	0.000	0.676
S3	-0.753	-1.095

	O1	S2	S3
O1		1.5156	2.9740
S2	1.5156		1.9243
S3	2.9740	1.9243

Number	Element	Mulliken
1	O	-0.329
2	S	0.494
3	S	-0.166

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

using model chemistry: PBEPBE/3-21G*

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
	-0.961	0.824	0.000	1.265
CHELPG
AIM
ESP

	x	y	z
x	4.995	2.586	0.000
y	2.586	6.442	0.000
z	0.000	0.000	2.332

<r²>	78.841
(<r²>)^1/2	8.879