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	hartrees
Energy at 0K	-1391.976205
Energy at 298.15K	-1391.977186
HF Energy	-1391.338112
Nuclear repulsion energy	280.796610

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1316	1257	247.82
2	A'	490	468	94.27
3	A'	344	329	15.93
4	A'	195	186	0.27
5	A"	449	429	190.34
6	A"	277	265	7.47

Atom	x (Å)	y (Å)	z (Å)
S1	0.176	0.729	0.000
O2	-1.099	1.395	0.000
Cl3	0.176	-0.671	1.588
Cl4	0.176	-0.671	-1.588

	S1	O2	Cl3	Cl4
S1		1.4381	2.1175	2.1175
O2	1.4381		2.9014	2.9014
Cl3	2.1175	2.9014		3.1770
Cl4	2.1175	2.9014	3.1770

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O2	S1	Cl3	107.841		O2	S1	Cl4	107.841
Cl3	S1	Cl4	97.212

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

using model chemistry: CCD/6-311G**

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/6-311G**

States and conformations

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