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	hartrees
Energy at 0K	-1392.096609
Energy at 298.15K	-1392.097679
Nuclear repulsion energy

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1297	1226	162.22
2	A'	522	494	78.89
3	A'	359	339	7.60
4	A'	202	191	0.14
5	A"	488	461	183.46
6	A"	289	273	1.99

Atom	x (Å)	y (Å)	z (Å)
S1	0.176	0.711	0.000
O2	-1.098	1.373	0.000
Cl3	0.176	-0.658	1.553
Cl4	0.176	-0.658	-1.553

	S1	O2	Cl3	Cl4
S1		1.4351	2.0700	2.0700
O2	1.4351		2.8560	2.8560
Cl3	2.0700	2.8560		3.1057
Cl4	2.0700	2.8560	3.1057

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O2	S1	Cl3	107.763		O2	S1	Cl4	107.763
Cl3	S1	Cl4	97.213

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

using model chemistry: CCSD/6-31G(2df,p)

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: CCSD/6-31G(2df,p)

States and conformations

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