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	hartrees
Energy at 0K	-1341.620339
Energy at 298.15K	-1341.620222
HF Energy	-1341.620339
Nuclear repulsion energy	233.165564

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1288	1192	174.68
2	A₁	475	440	17.73
3	A₁	263	243	1.87
4	B₁	422	391	0.59
5	B₂	753	697	243.13
6	B₂	287	266	0.18

Atom	y (Å)	z (Å)
C1	0.000	0.213
S2	0.000	1.818
Cl3	1.504	-0.893
Cl4	-1.504	-0.893

	C1	S2	Cl3	Cl4
C1		1.6048	1.8670	1.8670
S2	1.6048		3.1000	3.1000
Cl3	1.8670	3.1000		3.0088
Cl4	1.8670	3.1000	3.0088

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
S2	C1	Cl3	126.316		S2	C1	Cl4	126.316
Cl3	C1	Cl4	107.369

All results from a given calculation for Cl₂CS (Thiophosgene)

using model chemistry: BLYP/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	-0.078
2	S	0.246
3	Cl	-0.084
4	Cl	-0.084

	x	y	z	Total
	0.000	0.000	1.956	1.956
CHELPG
AIM
ESP

<r²>	181.771
(<r²>)^1/2	13.482

All results from a given calculation for Cl2CS (Thiophosgene)

using model chemistry: BLYP/STO-3G

States and conformations

All results from a given calculation for Cl₂CS (Thiophosgene)