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	hartrees
Energy at 0K	-55.029977
Energy at 298.15K	-55.030173
HF Energy	-54.721497
Nuclear repulsion energy	50.764572

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1261	1219	214.33
2	A'	314	304	41.60
3	A'	223	215	19.13
4	A'	98	95	0.35
5	A"	305	294	91.52
6	A"	178	172	17.98

Atom	x (Å)	y (Å)	z (Å)
S1	0.191	0.847	0.000
O2	-1.195	1.577	0.000
Cl3	0.191	-0.770	1.849
Cl4	0.191	-0.770	-1.849

	S1	O2	Cl3	Cl4
S1		1.5670	2.4559	2.4559
O2	1.5670		3.2937	3.2937
Cl3	2.4559	3.2937		3.6976
Cl4	2.4559	3.2937	3.6976

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O2	S1	Cl3	107.865		O2	S1	Cl4	107.865
Cl3	S1	Cl4	97.667

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

using model chemistry: MP2/CEP-31G

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/CEP-31G

States and conformations

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