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	hartrees
Energy at 0K	-1391.886260
Energy at 298.15K	-1391.887094
HF Energy	-1391.245205
Nuclear repulsion energy	278.262458

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	1226	1179
2	A'	462	444
3	A'	322	310
4	A'	180	173
5	A"	421	405
6	A"	259	249

Atom	x (Å)	y (Å)	z (Å)
S1	0.179	0.723	0.000
O2	-1.117	1.414	0.000
Cl3	0.179	-0.673	1.603
Cl4	0.179	-0.673	-1.603

	S1	O2	Cl3	Cl4
S1		1.4688	2.1260	2.1260
O2	1.4688		2.9339	2.9339
Cl3	2.1260	2.9339		3.2070
Cl4	2.1260	2.9339	3.2070

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O2	S1	Cl3	108.001		O2	S1	Cl4	108.001
Cl3	S1	Cl4	97.914

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

using model chemistry: CCSD(T)/6-31G*

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: CCSD(T)/6-31G*

States and conformations

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