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	hartrees
Energy at 0K	-1390.074262
Energy at 298.15K	-1390.075107
Nuclear repulsion energy	278.906108

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1225	1207	149.86
2	A'	473	466	66.43
3	A'	319	314	8.37
4	A'	164	162	0.27
5	A"	433	426	197.23
6	A"	264	260	2.83

Atom	x (Å)	y (Å)	z (Å)
S1	0.178	0.710	0.000
O2	-1.113	1.404	0.000
Cl3	0.178	-0.664	1.611
Cl4	0.178	-0.664	-1.611

	S1	O2	Cl3	Cl4
S1		1.4659	2.1172	2.1172
O2	1.4659		2.9225	2.9225
Cl3	2.1172	2.9225		3.2211
Cl4	2.1172	2.9225	3.2211

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O2	S1	Cl3	107.915		O2	S1	Cl4	107.915
Cl3	S1	Cl4	99.052

All results from a given calculation for SOCl₂ (thionyl chloride)

using model chemistry: LSDA/6-31+G**

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	0.420
2	O	-0.323
3	Cl	-0.049
4	Cl	-0.049

	x	y	z	Total
	1.475	0.452	0.000	1.542
CHELPG
AIM
ESP

	x	y	z
x	5.413	-1.204	0.000
y	-1.204	7.828	0.000
z	0.000	0.000	10.140

<r²>	0.000
(<r²>)^1/2	0.000

All results from a given calculation for SOCl2 (thionyl chloride)

using model chemistry: LSDA/6-31+G**

States and conformations

All results from a given calculation for SOCl₂ (thionyl chloride)