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	hartrees
Energy at 0K	-1469.094413
Energy at 298.15K	-1469.096471
Nuclear repulsion energy	402.980838

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1222	1170	138.94
2	A₁	565	541	97.26
3	A₁	401	384	0.41
4	A₁	203	194	0.04
5	A₂	267	256	0.00
6	B₁	590	565	301.86
7	B₁	379	363	1.90
8	B₂	1474	1411	149.56
9	B₂	351	336	4.19

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	0.507
O2	0.000	1.250	1.179
O3	0.000	-1.250	1.179
Cl4	1.553	0.000	-0.794
Cl5	-1.553	0.000	-0.794

	S1	O2	O3	Cl4	Cl5
S1		1.4192	1.4192	2.0258	2.0258
O2	1.4192		2.4999	2.8047	2.8047
O3	1.4192	2.4999		2.8047	2.8047
Cl4	2.0258	2.8047	2.8047		3.1062
Cl5	2.0258	2.8047	2.8047	3.1062

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O2	S1	O3	123.464	O2	S1	Cl4	107.702
O2	S1	Cl5	107.702	O3	S1	Cl4	107.702
O3	S1	Cl5	107.702	Cl4	S1	Cl5	100.112

All results from a given calculation for SO₂Cl₂ (Sulfuryl chloride)

using model chemistry: B1B95/6-31G(2df,p)

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
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Number	Element	Mulliken
1	S	0.520
2	O	-0.178
3	O	-0.178
4	Cl	-0.082
5	Cl	-0.082

	x	y	z	Total
	0.000	0.000	-1.464	1.464
CHELPG
AIM
ESP

<r²>	0.000
(<r²>)^1/2	0.000

All results from a given calculation for SO2Cl2 (Sulfuryl chloride)

using model chemistry: B1B95/6-31G(2df,p)

States and conformations

All results from a given calculation for SO₂Cl₂ (Sulfuryl chloride)