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	hartrees
Energy at 0K	-1391.893874
Energy at 298.15K	-1391.894825
HF Energy	-1391.248073
Nuclear repulsion energy	281.388771

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1264	1201	182.25
2	A'	489	464	85.59
3	A'	343	326	13.08
4	A'	193	184	0.38
5	A"	452	429	177.50
6	A"	274	260	4.76

Atom	x (Å)	y (Å)	z (Å)
S1	0.176	0.699	0.000
O2	-1.097	1.395	0.000
Cl3	0.176	-0.657	1.577
Cl4	0.176	-0.657	-1.577

	S1	O2	Cl3	Cl4
S1		1.4502	2.0800	2.0800
O2	1.4502		2.8838	2.8838
Cl3	2.0800	2.8838		3.1535
Cl4	2.0800	2.8838	3.1535

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O2	S1	Cl3	108.227		O2	S1	Cl4	108.227
Cl3	S1	Cl4	98.584

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

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

States and conformations

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