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	hartrees
Energy at 0K	-1466.208869
Energy at 298.15K	-1466.211233
HF Energy	-1466.208869
Nuclear repulsion energy	404.122648

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1270	1154	254.65
2	A₁	622	565	152.44
3	A₁	443	403	1.20
4	A₁	229	208	0.00
5	A₂	304	276	0.00
6	B₁	670	609	394.60
7	B₁	427	388	0.18
8	B₂	1516	1377	309.04
9	B₂	396	359	12.25

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	0.498
O2	0.000	1.241	1.175
O3	0.000	-1.241	1.175
Cl4	1.558	0.000	-0.787
Cl5	-1.558	0.000	-0.787

	S1	O2	O3	Cl4	Cl5
S1		1.4131	1.4131	2.0195	2.0195
O2	1.4131		2.4812	2.7954	2.7954
O3	1.4131	2.4812		2.7954	2.7954
Cl4	2.0195	2.7954	2.7954		3.1158
Cl5	2.0195	2.7954	2.7954	3.1158

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O2	S1	O3	122.786	O2	S1	Cl4	107.739
O2	S1	Cl5	107.739	O3	S1	Cl4	107.739
O3	S1	Cl5	107.739	Cl4	S1	Cl5	100.960

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

using model chemistry: HF/TZVP

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	0.878
2	O	-0.373
3	O	-0.373
4	Cl	-0.066
5	Cl	-0.066

	x	y	z	Total
	0.000	0.000	-2.328	2.328
CHELPG
AIM
ESP

<r²>	185.246
(<r²>)^1/2	13.611

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

using model chemistry: HF/TZVP

States and conformations

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