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	hartrees
Energy at 0K	-1385.408150
Energy at 298.15K	-1385.408961
HF Energy	-1384.835488
Nuclear repulsion energy	278.254668

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1146	1101	77.96
2	A'	454	436	75.27
3	A'	318	305	14.44
4	A'	187	180	0.34
5	A"	405	389	161.91
6	A"	253	243	13.82

Atom	x (Å)	y (Å)	z (Å)
S1	0.178	0.728	0.000
O2	-1.115	1.441	0.000
Cl3	0.178	-0.682	1.590
Cl4	0.178	-0.682	-1.590

	S1	O2	Cl3	Cl4
S1		1.4769	2.1245	2.1245
O2	1.4769		2.9503	2.9503
Cl3	2.1245	2.9503		3.1791
Cl4	2.1245	2.9503	3.1791

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O2	S1	Cl3	108.674		O2	S1	Cl4	108.674
Cl3	S1	Cl4	96.866

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

using model chemistry: QCISD/3-21G*

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/3-21G*

States and conformations

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