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	hartrees
Energy at 0K	-1392.232910
Energy at 298.15K	-1392.233899
HF Energy	-1391.425221
Nuclear repulsion energy	282.602136

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1307	1241	142.30
2	A'	501	476	85.14
3	A'	343	326	12.19
4	A'	190	180	0.03
5	A"	454	432	199.74
6	A"	278	264	7.09

Atom	x (Å)	y (Å)	z (Å)
S1	0.177	0.724	0.000
O2	-1.107	1.394	0.000
Cl3	0.177	-0.669	1.567
Cl4	0.177	-0.669	-1.567

	S1	O2	Cl3	Cl4
S1		1.4485	2.0971	2.0971
O2	1.4485		2.8917	2.8917
Cl3	2.0971	2.8917		3.1344
Cl4	2.0971	2.8917	3.1344

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O2	S1	Cl3	107.886		O2	S1	Cl4	107.886
Cl3	S1	Cl4	96.717

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

using model chemistry: MP2/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/cc-pVTZ

States and conformations

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