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	hartrees
Energy at 0K	-1376.189269
Energy at 298.15K	-1376.189720
HF Energy	-1376.029947
Nuclear repulsion energy	262.710623

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1258	1258	83.42
2	A'	438	438	23.65
3	A'	307	307	11.83
4	A'	138	138	2.20
5	A"	368	368	73.36
6	A"	214	214	16.14

Atom	x (Å)	y (Å)	z (Å)
S1	0.196	0.827	0.000
O2	-1.226	1.421	0.000
Cl3	0.196	-0.724	1.674
Cl4	0.196	-0.724	-1.674

	S1	O2	Cl3	Cl4
S1		1.5411	2.2814	2.2814
O2	1.5411		3.0698	3.0698
Cl3	2.2814	3.0698		3.3474
Cl4	2.2814	3.0698	3.3474

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O2	S1	Cl3	105.200		O2	S1	Cl4	105.200
Cl3	S1	Cl4	94.382

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

using model chemistry: CCD/STO-3G

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: CCD/STO-3G

States and conformations

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