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	hartrees
Energy at 0K	-1392.064422
Energy at 298.15K	-1392.065426
HF Energy	-1391.304928
Nuclear repulsion energy	283.496114

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1312	1239	123.19
2	A'	510	481	84.37
3	A'	347	327	11.20
4	A'	194	183	0.07
5	A"	462	437	199.34
6	A"	279	263	5.57

Atom	x (Å)	y (Å)	z (Å)
S1	0.175	0.710	0.000
O2	-1.094	1.390	0.000
Cl3	0.175	-0.661	1.556
Cl4	0.175	-0.661	-1.556

	S1	O2	Cl3	Cl4
S1		1.4392	2.0741	2.0741
O2	1.4392		2.8700	2.8700
Cl3	2.0741	2.8700		3.1114
Cl4	2.0741	2.8700	3.1114

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O2	S1	Cl3	108.191		O2	S1	Cl4	108.191
Cl3	S1	Cl4	97.193

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

using model chemistry: MP2/6-31G(2df,p)

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: MP2/6-31G(2df,p)

States and conformations

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