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	hartrees
Energy at 0K	-1355.303830
Energy at 298.15K
HF Energy	-1354.426392
Nuclear repulsion energy	246.169499

Atom	y (Å)	z (Å)
C1	0.000	0.133
S2	0.000	1.731
Cl3	1.424	-0.838
Cl4	-1.424	-0.838

	C1	S2	Cl3	Cl4
C1		1.5977	1.7233	1.7233
S2	1.5977		2.9367	2.9367
Cl3	1.7233	2.9367		2.8478
Cl4	1.7233	2.9367	2.8478

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
S2	C1	Cl3	124.283		S2	C1	Cl4	124.283
Cl3	C1	Cl4	111.435

All results from a given calculation for Cl₂CS (Thiophosgene)

using model chemistry: CCSD=FULL/aug-cc-pVTZ

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 Cl2CS (Thiophosgene)

using model chemistry: CCSD=FULL/aug-cc-pVTZ

States and conformations

All results from a given calculation for Cl₂CS (Thiophosgene)