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	hartrees
Energy at 0K	-1391.882164
Energy at 298.15K	-1391.883090
HF Energy	-1391.254359
Nuclear repulsion energy	280.283910

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1190	1125	162.66
2	A'	479	453	80.40
3	A'	337	318	11.55
4	A'	185	175	0.21
5	A"	448	424	175.60
6	A"	275	260	2.64

Atom	x (Å)	y (Å)	z (Å)
S1	0.180	0.716	0.000
O2	-1.126	1.390	0.000
Cl3	0.180	-0.664	1.592
Cl4	0.180	-0.664	-1.592

	S1	O2	Cl3	Cl4
S1		1.4700	2.1063	2.1063
O2	1.4700		2.9084	2.9084
Cl3	2.1063	2.9084		3.1831
Cl4	2.1063	2.9084	3.1831

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O2	S1	Cl3	107.489		O2	S1	Cl4	107.489
Cl3	S1	Cl4	98.155

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

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

States and conformations

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