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	hartrees
Energy at 0K	-1391.767788
Energy at 298.15K	-1391.768871
HF Energy	-1391.250316
Nuclear repulsion energy	284.834008

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1329	1228	243.24
2	A'	522	482	105.82
3	A'	369	341	14.23
4	A'	208	192	0.45
5	A"	487	450	208.01
6	A"	294	271	4.00

Atom	x (Å)	y (Å)	z (Å)
S1	0.177	0.708	0.000
O2	-1.104	1.374	0.000
Cl3	0.177	-0.656	1.563
Cl4	0.177	-0.656	-1.563

	S1	O2	Cl3	Cl4
S1		1.4436	2.0748	2.0748
O2	1.4436		2.8647	2.8647
Cl3	2.0748	2.8647		3.1261
Cl4	2.0748	2.8647	3.1261

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O2	S1	Cl3	107.661		O2	S1	Cl4	107.661
Cl3	S1	Cl4	97.764

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

using model chemistry: CID/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: CID/6-31G*

States and conformations

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