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	hartrees
Energy at 0K	-114.269738
Energy at 298.15K	-114.269988
HF Energy	-113.942988
Nuclear repulsion energy	59.279793

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1287	1239	150.76
2	A'	324	312	34.10
3	A'	227	219	12.85
4	A'	96	93	0.51
5	A"	323	311	77.12
6	A"	190	183	3.61

Atom	x (Å)	y (Å)	z (Å)
S1	0.188	0.859	0.000
O2	-1.178	1.607	0.000
Cl3	0.188	-0.782	1.841
Cl4	0.188	-0.782	-1.841

	S1	O2	Cl3	Cl4
S1		1.5577	2.4656	2.4656
O2	1.5577		3.3109	3.3109
Cl3	2.4656	3.3109		3.6811
Cl4	2.4656	3.3109	3.6811

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O2	S1	Cl3	108.651		O2	S1	Cl4	108.651
Cl3	S1	Cl4	96.571

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

using model chemistry: MP2/LANL2DZ

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/LANL2DZ

States and conformations

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