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	hartrees
Energy at 0K	-1391.994706
Energy at 298.15K	-1391.995619
HF Energy	-1391.356240
Nuclear repulsion energy	278.080291

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1294	1227	176.64
2	A'	480	455	91.50
3	A'	328	311	19.10
4	A'	181	172	0.09
5	A"	440	417	201.83
6	A"	267	253	10.57

Atom	x (Å)	y (Å)	z (Å)
S1	0.179	0.729	0.000
O2	-1.117	1.408	0.000
Cl3	0.179	-0.674	1.605
Cl4	0.179	-0.674	-1.605

	S1	O2	Cl3	Cl4
S1		1.4634	2.1317	2.1317
O2	1.4634		2.9313	2.9313
Cl3	2.1317	2.9313		3.2099
Cl4	2.1317	2.9313	3.2099

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O2	S1	Cl3	107.802		O2	S1	Cl4	107.802
Cl3	S1	Cl4	97.684

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

using model chemistry: MP2/TZVP

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: MP2/TZVP

States and conformations

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