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	hartrees
Energy at 0K	-1392.349848
Energy at 298.15K	-1392.350860
HF Energy	-1391.425894
Nuclear repulsion energy	283.599175

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1308	1242	143.61
2	A'	507	482	86.31
3	A'	347	329	11.69
4	A'	192	183	0.04
5	A"	461	438	201.79
6	A"	282	268	6.36

Atom	x (Å)	y (Å)	z (Å)
S1	0.177	0.722	0.000
O2	-1.106	1.388	0.000
Cl3	0.177	-0.666	1.561
Cl4	0.177	-0.666	-1.561

	S1	O2	Cl3	Cl4
S1		1.4460	2.0888	2.0888
O2	1.4460		2.8816	2.8816
Cl3	2.0888	2.8816		3.1217
Cl4	2.0888	2.8816	3.1217

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O2	S1	Cl3	107.824		O2	S1	Cl4	107.824
Cl3	S1	Cl4	96.701

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

using model chemistry: MP2=FULL/cc-pVTZ

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/cc-pVTZ

States and conformations

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