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	hartrees
Energy at 0K	-1391.872102
Energy at 298.15K	-1391.872958
HF Energy	-1391.246399
Nuclear repulsion energy	279.153241

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1314	1238	141.23
2	A'	471	443	87.94
3	A'	326	307	21.61
4	A'	182	171	0.13
5	A"	420	396	191.79
6	A"	260	245	15.38

Atom	x (Å)	y (Å)	z (Å)
S1	0.177	0.722	0.000
O2	-1.107	1.419	0.000
Cl3	0.177	-0.674	1.596
Cl4	0.177	-0.674	-1.596

	S1	O2	Cl3	Cl4
S1		1.4613	2.1206	2.1206
O2	1.4613		2.9289	2.9289
Cl3	2.1206	2.9289		3.1921
Cl4	2.1206	2.9289	3.1921

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O2	S1	Cl3	108.300		O2	S1	Cl4	108.300
Cl3	S1	Cl4	97.638

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

using model chemistry: MP2=FULL/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: MP2=FULL/6-31G*

States and conformations

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