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	hartrees
Energy at 0K	-1462.008585
Energy at 298.15K	-1462.010627
HF Energy	-1462.008585
Nuclear repulsion energy	399.778654

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1214	1150	141.34
2	A₁	561	532	119.62
3	A₁	395	375	2.11
4	A₁	213	202	0.08
5	A₂	269	255	0.00
6	B₁	576	546	338.72
7	B₁	368	348	4.46
8	B₂	1482	1405	148.99
9	B₂	356	337	10.82

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	0.512
O2	0.000	1.266	1.197
O3	0.000	-1.266	1.197
Cl4	1.560	0.000	-0.804
Cl5	-1.560	0.000	-0.804

	S1	O2	O3	Cl4	Cl5
S1		1.4391	1.4391	2.0411	2.0411
O2	1.4391		2.5311	2.8356	2.8356
O3	1.4391	2.5311		2.8356	2.8356
Cl4	2.0411	2.8356	2.8356		3.1200
Cl5	2.0411	2.8356	2.8356	3.1200

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O2	S1	O3	123.145	O2	S1	Cl4	107.878
O2	S1	Cl5	107.878	O3	S1	Cl4	107.878
O3	S1	Cl5	107.878	Cl4	S1	Cl5	99.687

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

using model chemistry: wB97X-D/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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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	0.951
2	O	-0.371
3	O	-0.371
4	Cl	-0.105
5	Cl	-0.105

	x	y	z	Total
	0.000	0.000	-1.223	1.223
CHELPG
AIM
ESP

<r²>	187.633
(<r²>)^1/2	13.698

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

using model chemistry: wB97X-D/3-21G*

States and conformations

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