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	hartrees
Energy at 0K	-1391.426632
Energy at 298.15K	-1391.426907
HF Energy	-1391.057487
Nuclear repulsion energy	245.804604

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1292	1248	152.55
2	A'	330	318	34.75
3	A'	231	223	11.34
4	A'	94	90	0.48
5	A"	329	318	83.09
6	A"	197	190	2.74

Atom	x (Å)	y (Å)	z (Å)
S1	0.187	0.859	0.000
O2	-1.172	1.600	0.000
Cl3	0.187	-0.780	1.839
Cl4	0.187	-0.780	-1.839

	S1	O2	Cl3	Cl4
S1		1.5481	2.4634	2.4634
O2	1.5481		3.3007	3.3007
Cl3	2.4634	3.3007		3.6780
Cl4	2.4634	3.3007	3.6780

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O2	S1	Cl3	108.576		O2	S1	Cl4	108.576
Cl3	S1	Cl4	96.584

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

using model chemistry: MP2/SDD

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/SDD

States and conformations

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