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	hartrees
Energy at 0K	-36.038569
Energy at 298.15K	-36.039044
Nuclear repulsion energy	26.885641

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	911	872	69.15
2	A'	561	537	18.56
3	A'	291	278	11.73

Atom	x (Å)	y (Å)
O1	1.634	0.779
S2	0.000	0.766
S3	-0.817	-1.156

	O1	S2	S3
O1		1.6337	3.1223
S2	1.6337		2.0880
S3	3.1223	2.0880

Number	Element	Mulliken
1	O	-0.400
2	S	0.450
3	S	-0.051

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

using model chemistry: B1B95/CEP-31G

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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Calc. vs exp. Bad Vib. HF vs MP2 Bad scale factors Low excited states Oddities NaCN Is not linear FAQ Help Units Choose Units Energy Bond length Rotational Constant Moment of Inertia Dipole and Quadrupole Polarizability Explanations Hartree cm-1 Debye Credits Just show me Show me a calculated geometry Summary Using older interface Limit Basis sets Method options List Recent molecules Choose a few Molecules Number of atoms By heavy atoms Diatomics InChI Deuterated Dimers Geometry Point group Point group count Bonds types Isodesmic reactions Bad point group Multiple conformers, states Vibrations Big anharmonicity Energy Enthalpy at 0 Kelvin Similar molecules Similar Isomers Cis/trans Tautomers Multiple conformers, states Ions, Dipoles, etc. List Ions Ionization changes point group Dipole Quadrupole Polarizability Proton Affinities Index of CCCBDB Feedback Error form Wants
You are here: Calculated > Energy > Optimized > Energy

	x	y	z	Total
	-2.032	0.731	0.000	2.160
CHELPG
AIM
ESP

	x	y	z
x	6.266	3.835	0.000
y	3.835	7.494	0.000
z	0.000	0.000	1.603

<r²>	0.000
(<r²>)^1/2	0.000