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	hartrees
Energy at 0K	-1391.413226
Energy at 298.15K	-1391.413428
HF Energy	-1391.046780
Nuclear repulsion energy	245.185827

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1292	1228	144.21
2	A'	314	298	37.70
3	A'	221	210	14.82
4	A'	93	88	0.48
5	A"	306	291	92.65
6	A"	186	176	11.67

Atom	x (Å)	y (Å)	z (Å)
S1	0.190	0.850	0.000
O2	-1.186	1.589	0.000
Cl3	0.190	-0.774	1.851
Cl4	0.190	-0.774	-1.851

	S1	O2	Cl3	Cl4
S1		1.5612	2.4625	2.4625
O2	1.5612		3.3016	3.3016
Cl3	2.4625	3.3016		3.7027
Cl4	2.4625	3.3016	3.7027

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O2	S1	Cl3	108.181		O2	S1	Cl4	108.181
Cl3	S1	Cl4	97.495

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

using model chemistry: MP2=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: MP2=FULL/6-31G

States and conformations

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