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	hartrees
Energy at 0K	-1391.988759
Energy at 298.15K	-1391.989700
HF Energy	-1391.336521
Nuclear repulsion energy	279.274758

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1221	1165	161.82
2	A'	480	458	85.57
3	A'	336	320	13.22
4	A'	189	180	0.27
5	A"	445	425	185.34
6	A"	275	262	4.87

Atom	x (Å)	y (Å)	z (Å)
S1	0.178	0.728	0.000
O2	-1.111	1.398	0.000
Cl3	0.178	-0.671	1.600
Cl4	0.178	-0.671	-1.600

	S1	O2	Cl3	Cl4
S1		1.4521	2.1252	2.1252
O2	1.4521		2.9153	2.9153
Cl3	2.1252	2.9153		3.1993
Cl4	2.1252	2.9153	3.1993

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O2	S1	Cl3	107.676		O2	S1	Cl4	107.676
Cl3	S1	Cl4	97.650

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

using model chemistry: QCISD/6-311G**

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: QCISD/6-311G**

States and conformations

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