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	hartrees
Energy at 0K	-1391.866484
Energy at 298.15K	-1391.867420
HF Energy	-1391.246890
Nuclear repulsion energy	280.444814

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1206	1135	134.90
2	A'	483	455	81.38
3	A'	339	319	12.08
4	A'	189	178	0.35
5	A"	450	424	173.08
6	A"	273	257	3.43

Atom	x (Å)	y (Å)	z (Å)
S1	0.180	0.716	0.000
O2	-1.122	1.395	0.000
Cl3	0.180	-0.665	1.589
Cl4	0.180	-0.665	-1.589

	S1	O2	Cl3	Cl4
S1		1.4681	2.1056	2.1056
O2	1.4681		2.9096	2.9096
Cl3	2.1056	2.9096		3.1782
Cl4	2.1056	2.9096	3.1782

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O2	S1	Cl3	107.671		O2	S1	Cl4	107.671
Cl3	S1	Cl4	98.000

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

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

States and conformations

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