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	hartrees
Energy at 0K	-1376.193327
Energy at 298.15K	-1376.193871
Nuclear repulsion energy	264.265105

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1108	1108	41.10
2	A'	483	483	28.79
3	A'	306	306	12.97
4	A'	146	146	2.36
5	A"	413	413	88.86
6	A"	229	229	5.21

Atom	x (Å)	y (Å)	z (Å)
S1	0.198	0.798	0.000
O2	-1.240	1.415	0.000
Cl3	0.198	-0.708	1.668
Cl4	0.198	-0.708	-1.668

	S1	O2	Cl3	Cl4
S1		1.5648	2.2474	2.2474
O2	1.5648		3.0591	3.0591
Cl3	2.2474	3.0591		3.3364
Cl4	2.2474	3.0591	3.3364

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O2	S1	Cl3	105.322		O2	S1	Cl4	105.322
Cl3	S1	Cl4	95.849

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

using model chemistry: CISD/STO-3G

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: CISD/STO-3G

States and conformations

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