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	hartrees
Energy at 0K	-1338.121855
Energy at 298.15K	-1338.121869
HF Energy	-1338.121855
Nuclear repulsion energy	238.063428

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1368	1225	190.30
2	A₁	518	464	16.81
3	A₁	277	248	2.28
4	B₁	451	404	0.78
5	B₂	828	742	249.44
6	B₂	303	271	0.01

Atom	y (Å)	z (Å)
C1	0.000	0.203
S2	0.000	1.789
Cl3	1.466	-0.877
Cl4	-1.466	-0.877

	C1	S2	Cl3	Cl4
C1		1.5858	1.8213	1.8213
S2	1.5858		3.0427	3.0427
Cl3	1.8213	3.0427		2.9328
Cl4	1.8213	3.0427	2.9328

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
S2	C1	Cl3	126.377		S2	C1	Cl4	126.377
Cl3	C1	Cl4	107.245

All results from a given calculation for Cl₂CS (Thiophosgene)

using model chemistry: LSDA/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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Number	Element	Mulliken
1	C	-0.090
2	S	0.236
3	Cl	-0.073
4	Cl	-0.073

	x	y	z	Total
	0.000	0.000	1.754	1.754
CHELPG
AIM
ESP

<r²>	175.332
(<r²>)^1/2	13.241

All results from a given calculation for Cl2CS (Thiophosgene)

using model chemistry: LSDA/STO-3G

States and conformations

All results from a given calculation for Cl₂CS (Thiophosgene)