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	hartrees
Energy at 0K	-869.932046
Energy at 298.15K
HF Energy	-869.932046
Nuclear repulsion energy	145.282588

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'	1399	1271	304.70	29.77	0.44	0.61
2	A'	796	723	88.03	53.42	0.15	0.26
3	A'	443	402	13.39	3.56	0.48	0.65

Atom	x (Å)	y (Å)
O1	1.406	0.797
S2	0.000	0.657
S3	-0.703	-1.055

	O1	S2	S3
O1		1.4130	2.8069
S2	1.4130		1.8503
S3	2.8069	1.8503

Number	Element	Mulliken
1	O	-0.406
2	S	0.534
3	S	-0.128

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

using model chemistry: HF/6-311+G(3df,2p)

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
	-1.619	0.210	0.000	1.633
CHELPG
AIM
ESP

	x	y	z
x	6.437	1.982	0.000
y	1.982	7.627	0.000
z	0.000	0.000	4.311

<r²>	73.153
(<r²>)^1/2	8.553