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	hartrees
Energy at 0K	-865.709149
Energy at 298.15K
HF Energy	-865.709149
Nuclear repulsion energy	143.721920

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'	1342	1211	195.67	32.68	0.34	0.51
2	A'	795	718	84.32	42.49	0.27	0.42
3	A'	435	392	24.10	5.62	0.70	0.82

Atom	x (Å)	y (Å)
O1	1.440	0.784
S2	0.000	0.660
S3	-0.720	-1.052

	O1	S2	S3
O1		1.4449	2.8342
S2	1.4449		1.8571
S3	2.8342	1.8571

Number	Element	Mulliken
1	O	-0.484
2	S	0.741
3	S	-0.257

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

using model chemistry: HF/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
	-1.568	1.159	0.000	1.950
CHELPG	-1.676	1.383	0.000	2.173
AIM
ESP

	x	y	z
x	4.861	2.658	0.000
y	2.658	6.222	0.000
z	0.000	0.000	2.264

<r²>	74.432
(<r²>)^1/2	8.627