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	hartrees
Energy at 0K	-1391.901920
Energy at 298.15K	-1391.902881
HF Energy	-1391.256468
Nuclear repulsion energy	281.870062

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1305	1215	277.63
2	A'	488	454	87.36
3	A'	345	322	13.62
4	A'	190	177	0.24
5	A"	449	418	181.41
6	A"	276	257	5.60

Atom	x (Å)	y (Å)	z (Å)
S1	0.175	0.700	0.000
O2	-1.096	1.387	0.000
Cl3	0.175	-0.656	1.577
Cl4	0.175	-0.656	-1.577

	S1	O2	Cl3	Cl4
S1		1.4452	2.0792	2.0792
O2	1.4452		2.8767	2.8767
Cl3	2.0792	2.8767		3.1531
Cl4	2.0792	2.8767	3.1531

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O2	S1	Cl3	108.062		O2	S1	Cl4	108.062
Cl3	S1	Cl4	98.618

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

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

States and conformations

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