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	hartrees
Energy at 0K	-1391.870488
Energy at 298.15K	-1391.871459
HF Energy	-1391.256085
Nuclear repulsion energy	281.728652

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1281	1208	251.12
2	A'	489	461	88.09
3	A'	346	326	13.68
4	A'	191	180	0.25
5	A"	454	428	179.50
6	A"	278	262	4.04

Atom	x (Å)	y (Å)	z (Å)
S1	0.178	0.717	0.000
O2	-1.113	1.390	0.000
Cl3	0.178	-0.664	1.581
Cl4	0.178	-0.664	-1.581

	S1	O2	Cl3	Cl4
S1		1.4560	2.0993	2.0993
O2	1.4560		2.8957	2.8957
Cl3	2.0993	2.8957		3.1612
Cl4	2.0993	2.8957	3.1612

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O2	S1	Cl3	107.693		O2	S1	Cl4	107.693
Cl3	S1	Cl4	97.686

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

using model chemistry: CCD/6-31+G**

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: CCD/6-31+G**

States and conformations

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