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	hartrees
Energy at 0K	-1469.120355
Energy at 298.15K	-1469.122284
Nuclear repulsion energy

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1145	1097	142.57
2	A₁	537	514	93.38
3	A₁	379	363	0.08
4	A₁	196	188	0.07
5	A₂	250	240	0.00
6	B₁	561	537	275.20
7	B₁	359	344	1.18
8	B₂	1366	1309	156.11
9	B₂	334	320	3.66

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	0.516
O2	0.000	1.281	1.204
O3	0.000	-1.281	1.204
Cl4	1.571	0.000	-0.810
Cl5	-1.571	0.000	-0.810

	S1	O2	O3	Cl4	Cl5
S1		1.4541	1.4541	2.0557	2.0557
O2	1.4541		2.5615	2.8575	2.8575
O3	1.4541	2.5615		2.8575	2.8575
Cl4	2.0557	2.8575	2.8575		3.1425
Cl5	2.0557	2.8575	2.8575	3.1425

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O2	S1	O3	123.479	O2	S1	Cl4	107.777
O2	S1	Cl5	107.777	O3	S1	Cl4	107.777
O3	S1	Cl5	107.777	Cl4	S1	Cl5	99.696

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

using model chemistry: B1B95/aug-cc-pVDZ

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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Number	Element	Mulliken
1	S	1.223
2	O	-0.586
3	O	-0.586
4	Cl	-0.026
5	Cl	-0.026

	x	y	z	Total
	0.000	0.000	-1.713	1.713
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/aug-cc-pVDZ

States and conformations

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