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	hartrees
Energy at 0K	-55.560254
Energy at 298.15K	-55.561153
HF Energy	-54.935903
Nuclear repulsion energy	57.015866

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1274	1214	171.60
2	A'	486	463	92.26
3	A'	330	314	16.48
4	A'	179	170	0.12
5	A"	445	424	204.38
6	A"	262	249	6.91

Atom	x (Å)	y (Å)	z (Å)
S1	0.180	0.728	0.000
O2	-1.123	1.420	0.000
Cl3	0.180	-0.677	1.600
Cl4	0.180	-0.677	-1.600

	S1	O2	Cl3	Cl4
S1		1.4745	2.1291	2.1291
O2	1.4745		2.9411	2.9411
Cl3	2.1291	2.9411		3.1995
Cl4	2.1291	2.9411	3.1995

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O2	S1	Cl3	108.030		O2	S1	Cl4	108.030
Cl3	S1	Cl4	97.421

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

using model chemistry: MP2/CEP-121G*

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/CEP-121G*

States and conformations

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