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	hartrees
Energy at 0K	-1385.417663
Energy at 298.15K	-1385.418406
HF Energy	-1384.835071
Nuclear repulsion energy	276.820803

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1305	1237	88.82
2	A'	447	423	79.31
3	A'	304	289	29.15
4	A'	179	169	0.06
5	A"	381	361	166.18
6	A"	236	224	43.21

Atom	x (Å)	y (Å)	z (Å)
S1	0.175	0.737	0.000
O2	-1.092	1.473	0.000
Cl3	0.175	-0.694	1.596
Cl4	0.175	-0.694	-1.596

	S1	O2	Cl3	Cl4
S1		1.4654	2.1435	2.1435
O2	1.4654		2.9747	2.9747
Cl3	2.1435	2.9747		3.1919
Cl4	2.1435	2.9747	3.1919

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O2	S1	Cl3	109.594		O2	S1	Cl4	109.594
Cl3	S1	Cl4	96.239

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

using model chemistry: MP2=FULL/3-21G*

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/3-21G*

States and conformations

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