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	hartrees
Energy at 0K	-1353.089517
Energy at 298.15K	-1353.089743
HF Energy	-1353.089517
Nuclear repulsion energy	245.265724

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1155	1133	330.77
2	A₁	511	501	19.71
3	A₁	300	294	0.45
4	B₁	487	478	1.40
5	B₂	796	781	278.49
6	B₂	305	299	0.36

Atom	y (Å)	z (Å)
C1	0.000	0.137
S2	0.000	1.742
Cl3	1.424	-0.844
Cl4	-1.424	-0.844

	C1	S2	Cl3	Cl4
C1		1.6057	1.7291	1.7291
S2	1.6057		2.9526	2.9526
Cl3	1.7291	2.9526		2.8481
Cl4	1.7291	2.9526	2.8481

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
S2	C1	Cl3	124.556		S2	C1	Cl4	124.556
Cl3	C1	Cl4	110.887

All results from a given calculation for Cl₂CS (Thiophosgene)

using model chemistry: LSDA/6-31G**

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	-0.308
2	S	0.058
3	Cl	0.125
4	Cl	0.125

	x	y	z	Total
	0.000	0.000	-0.695	0.695
CHELPG
AIM
ESP

<r²>	168.455
(<r²>)^1/2	12.979

All results from a given calculation for Cl2CS (Thiophosgene)

using model chemistry: LSDA/6-31G**

States and conformations

All results from a given calculation for Cl₂CS (Thiophosgene)