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	hartrees
Energy at 0K	-55.521016
Energy at 298.15K	-55.521952
HF Energy	-54.931503
Nuclear repulsion energy	57.065594

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1268	1203	173.48
2	A'	493	468	97.73
3	A'	338	321	17.34
4	A'	186	176	0.15
5	A"	454	431	212.70
6	A"	273	259	6.61

Atom	x (Å)	y (Å)	z (Å)
S1	0.180	0.728	0.000
O2	-1.124	1.418	0.000
Cl3	0.180	-0.676	1.596
Cl4	0.180	-0.676	-1.596

	S1	O2	Cl3	Cl4
S1		1.4754	2.1262	2.1262
O2	1.4754		2.9387	2.9387
Cl3	2.1262	2.9387		3.1929
Cl4	2.1262	2.9387	3.1929

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O2	S1	Cl3	107.995		O2	S1	Cl4	107.995
Cl3	S1	Cl4	97.327

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)