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	hartrees
Energy at 0K	-1385.316499
Energy at 298.15K	-1385.317493
Nuclear repulsion energy	283.647203

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1327	1234	191.70
2	A'	498	464	105.96
3	A'	352	328	18.71
4	A'	210	195	0.41
5	A"	444	413	203.70
6	A"	271	252	18.31

Atom	x (Å)	y (Å)	z (Å)
S1	0.175	0.718	0.000
O2	-1.092	1.414	0.000
Cl3	0.175	-0.671	1.558
Cl4	0.175	-0.671	-1.558

	S1	O2	Cl3	Cl4
S1		1.4448	2.0869	2.0869
O2	1.4448		2.8940	2.8940
Cl3	2.0869	2.8940		3.1155
Cl4	2.0869	2.8940	3.1155

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O2	S1	Cl3	108.693		O2	S1	Cl4	108.693
Cl3	S1	Cl4	96.568

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

using model chemistry: CID/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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All results from a given calculation for SOCl2 (thionyl chloride)

using model chemistry: CID/3-21G*

States and conformations

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