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	hartrees
Energy at 0K	-1355.349205
Energy at 298.15K	-1355.349443
HF Energy	-1354.426088
Nuclear repulsion energy	245.209242

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁	1156	1114
2	A₁	509	490
3	A₁	296	285
4	B₁	480	463
5	B₂	825	795
6	B₂	303	292

Atom	y (Å)	z (Å)
C1	0.000	0.134
S2	0.000	1.739
Cl3	1.428	-0.842
Cl4	-1.428	-0.842

	C1	S2	Cl3	Cl4
C1		1.6056	1.7294	1.7294
S2	1.6056		2.9500	2.9500
Cl3	1.7294	2.9500		2.8553
Cl4	1.7294	2.9500	2.8553

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
S2	C1	Cl3	124.356		S2	C1	Cl4	124.356
Cl3	C1	Cl4	111.287

All results from a given calculation for Cl₂CS (Thiophosgene)

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

States and conformations

All results from a given calculation for Cl₂CS (Thiophosgene)