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	hartrees
Energy at 0K	-1391.887832
Energy at 298.15K	-1391.888657
HF Energy	-1391.244734
Nuclear repulsion energy	277.920559

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	1209	1160
2	A'	459	441
3	A'	320	307
4	A'	179	171
5	A"	420	403
6	A"	259	248

Atom	x (Å)	y (Å)	z (Å)
S1	0.179	0.723	0.000
O2	-1.119	1.415	0.000
Cl3	0.179	-0.673	1.606
Cl4	0.179	-0.673	-1.606

	S1	O2	Cl3	Cl4
S1		1.4713	2.1280	2.1280
O2	1.4713		2.9369	2.9369
Cl3	2.1280	2.9369		3.2127
Cl4	2.1280	2.9369	3.2127

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O2	S1	Cl3	107.971		O2	S1	Cl4	107.971
Cl3	S1	Cl4	98.024

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

using model chemistry: QCISD(T)/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: QCISD(T)/6-31G*

States and conformations

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