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	hartrees
Energy at 0K	-869.937273
Energy at 298.15K
HF Energy	-869.937273
Nuclear repulsion energy	144.293437

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'	1378	1254	298.95	32.36	0.43	0.60
2	A'	787	716	86.12	59.35	0.14	0.24
3	A'	437	398	13.75	3.61	0.46	0.63

Atom	x (Å)	y (Å)
O1	1.419	0.789
S2	0.000	0.664
S3	-0.710	-1.058

	O1	S2	S3
O1		1.4249	2.8189
S2	1.4249		1.8627
S3	2.8189	1.8627

Number	Element	Mulliken
1	O	-0.660
2	S	0.802
3	S	-0.142

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

using model chemistry: HF/aug-cc-pVTZ

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
	-1.655	0.330	0.000	1.687
CHELPG
AIM
ESP

	x	y	z
x	6.740	2.052	0.000
y	2.052	7.858	0.000
z	0.000	0.000	4.523

<r²>	73.811
(<r²>)^1/2	8.591