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	hartrees
Energy at 0K	-1391.862524
Energy at 298.15K	-1391.863472
HF Energy	-1391.247889
Nuclear repulsion energy	281.204778

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1258	1188	181.64
2	A'	489	461	85.17
3	A'	343	324	13.02
4	A'	193	182	0.37
5	A"	452	427	176.82
6	A"	274	258	4.56

Atom	x (Å)	y (Å)	z (Å)
S1	0.175	0.699	0.000
O2	-1.096	1.397	0.000
Cl3	0.175	-0.657	1.578
Cl4	0.175	-0.657	-1.578

	S1	O2	Cl3	Cl4
S1		1.4510	2.0807	2.0807
O2	1.4510		2.8860	2.8860
Cl3	2.0807	2.8860		3.1562
Cl4	2.0807	2.8860	3.1562

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O2	S1	Cl3	108.284		O2	S1	Cl4	108.284
Cl3	S1	Cl4	98.654

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

using model chemistry: CCSD/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/6-31G*

States and conformations

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