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	hartrees
Energy at 0K	-1355.277671
Energy at 298.15K	-1355.277957
HF Energy	-1354.424666
Nuclear repulsion energy	245.741159

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1193	1131	279.02
2	A₁	521	494	16.68
3	A₁	300	285	0.10
4	B₁	495	469	0.80
5	B₂	857	812	206.40
6	B₂	311	295	0.01

Atom	y (Å)	z (Å)
C1	0.000	0.134
S2	0.000	1.733
Cl3	1.427	-0.839
Cl4	-1.427	-0.839

	C1	S2	Cl3	Cl4
C1		1.5989	1.7271	1.7271
S2	1.5989		2.9410	2.9410
Cl3	1.7271	2.9410		2.8542
Cl4	1.7271	2.9410	2.8542

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
S2	C1	Cl3	124.278		S2	C1	Cl4	124.278
Cl3	C1	Cl4	111.443

All results from a given calculation for Cl₂CS (Thiophosgene)

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

States and conformations

All results from a given calculation for Cl₂CS (Thiophosgene)