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	hartrees
Energy at 0K	-1384.793629
Energy at 298.15K	-1384.793883
HF Energy	-1384.426386
Nuclear repulsion energy	243.066435

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1354	1292	27.05
2	A'	320	306	26.73
3	A'	226	215	10.70
4	A'	84	80	0.85
5	A"	321	307	75.44
6	A"	205	195	1.16

Atom	x (Å)	y (Å)	z (Å)
S1	0.185	0.860	0.000
O2	-1.158	1.633	0.000
Cl3	0.185	-0.789	1.871
Cl4	0.185	-0.789	-1.871

	S1	O2	Cl3	Cl4
S1		1.5502	2.4938	2.4938
O2	1.5502		3.3425	3.3425
Cl3	2.4938	3.3425		3.7416
Cl4	2.4938	3.3425	3.7416

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O2	S1	Cl3	109.258		O2	S1	Cl4	109.258
Cl3	S1	Cl4	97.215

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

using model chemistry: MP2/3-21G

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: MP2/3-21G

States and conformations

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