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	hartrees
Energy at 0K	-1391.974822
Energy at 298.15K	-1391.975649
HF Energy	-1391.313587
Nuclear repulsion energy	275.134381

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	1201	1175
2	A'	460	450
3	A'	313	307
4	A'	174	170
5	A"	426	417
6	A"	253	248

Atom	x (Å)	y (Å)	z (Å)
S1	0.180	0.740	0.000
O2	-1.126	1.433	0.000
Cl3	0.180	-0.685	1.617
Cl4	0.180	-0.685	-1.617

	S1	O2	Cl3	Cl4
S1		1.4784	2.1558	2.1558
O2	1.4784		2.9677	2.9677
Cl3	2.1558	2.9677		3.2342
Cl4	2.1558	2.9677	3.2342

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O2	S1	Cl3	108.043		O2	S1	Cl4	108.043
Cl3	S1	Cl4	97.201

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

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

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-pVDZ

States and conformations

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