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	hartrees
Energy at 0K	-1391.866484
Energy at 298.15K	-1391.867410
HF Energy	-1391.246902
Nuclear repulsion energy	280.427475

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1207	1150	135.11
2	A'	483	460	81.34
3	A'	338	322	12.08
4	A'	189	180	0.35
5	A"	450	428	172.98
6	A"	273	260	3.42

Atom	x (Å)	y (Å)	z (Å)
S1	0.176	0.698	0.000
O2	-1.100	1.396	0.000
Cl3	0.176	-0.657	1.581
Cl4	0.176	-0.657	-1.581

	S1	O2	Cl3	Cl4
S1		1.4543	2.0825	2.0825
O2	1.4543		2.8882	2.8882
Cl3	2.0825	2.8882		3.1629
Cl4	2.0825	2.8882	3.1629

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O2	S1	Cl3	108.181		O2	S1	Cl4	108.181
Cl3	S1	Cl4	98.819

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)