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	hartrees
Energy at 0K	-1392.302509
Energy at 298.15K	-1392.303485
HF Energy	-1391.424481
Nuclear repulsion energy	281.570675

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	1259	1227
2	A'	495	482
3	A'	339	331
4	A'	187	183
5	A"	458	446
6	A"	278	271

Atom	x (Å)	y (Å)	z (Å)
S1	0.178	0.725	0.000
O2	-1.112	1.391	0.000
Cl3	0.178	-0.669	1.577
Cl4	0.178	-0.669	-1.577

	S1	O2	Cl3	Cl4
S1		1.4513	2.1052	2.1052
O2	1.4513		2.8972	2.8972
Cl3	2.1052	2.8972		3.1550
Cl4	2.1052	2.8972	3.1550

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O2	S1	Cl3	107.679		O2	S1	Cl4	107.679
Cl3	S1	Cl4	97.066

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

using model chemistry: CCSD(T)/cc-pVTZ

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: CCSD(T)/cc-pVTZ

States and conformations

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