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	hartrees
Energy at 0K	-1391.884857
Energy at 298.15K	-1391.885818
HF Energy	-1391.248978
Nuclear repulsion energy	282.009320

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1326	1244	240.95
2	A'	492	461	88.56
3	A'	347	326	13.96
4	A'	194	182	0.37
5	A"	450	423	178.50
6	A"	274	257	6.69

Atom	x (Å)	y (Å)	z (Å)
S1	0.175	0.700	0.000
O2	-1.093	1.391	0.000
Cl3	0.175	-0.657	1.575
Cl4	0.175	-0.657	-1.575

	S1	O2	Cl3	Cl4
S1		1.4441	2.0790	2.0790
O2	1.4441		2.8780	2.8780
Cl3	2.0790	2.8780		3.1505
Cl4	2.0790	2.8780	3.1505

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O2	S1	Cl3	108.195		O2	S1	Cl4	108.195
Cl3	S1	Cl4	98.523

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

using model chemistry: MP3=FULL/6-31G*

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: MP3=FULL/6-31G*

States and conformations

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