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	hartrees
Energy at 0K	-1391.770873
Energy at 298.15K	-1391.771949
HF Energy	-1391.250182
Nuclear repulsion energy	284.599478

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1318	1221	232.08
2	A'	521	482	104.75
3	A'	368	340	14.07
4	A'	207	192	0.43
5	A"	486	450	208.20
6	A"	293	271	3.98

Atom	x (Å)	y (Å)	z (Å)
S1	0.177	0.708	0.000
O2	-1.105	1.375	0.000
Cl3	0.177	-0.657	1.564
Cl4	0.177	-0.657	-1.564

	S1	O2	Cl3	Cl4
S1		1.4455	2.0760	2.0760
O2	1.4455		2.8672	2.8672
Cl3	2.0760	2.8672		3.1290
Cl4	2.0760	2.8672	3.1290

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O2	S1	Cl3	107.662		O2	S1	Cl4	107.662
Cl3	S1	Cl4	97.803

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

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

States and conformations

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