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	hartrees
Energy at 0K	-1392.223765
Energy at 298.15K	-1392.224776
HF Energy	-1391.416716
Nuclear repulsion energy	284.666537

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1306	1243	149.97
2	A'	507	483	86.46
3	A'	349	332	12.18
4	A'	195	185	0.03
5	A"	457	435	204.27
6	A"	284	271	6.76

Atom	x (Å)	y (Å)	z (Å)
S1	0.175	0.708	0.000
O2	-1.096	1.378	0.000
Cl3	0.175	-0.658	1.552
Cl4	0.175	-0.658	-1.552

	S1	O2	Cl3	Cl4
S1		1.4373	2.0680	2.0680
O2	1.4373		2.8588	2.8588
Cl3	2.0680	2.8588		3.1048
Cl4	2.0680	2.8588	3.1048

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O2	S1	Cl3	107.935		O2	S1	Cl4	107.935
Cl3	S1	Cl4	97.300

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

using model chemistry: MP2/Def2TZVPP

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/Def2TZVPP

States and conformations

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