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	hartrees
Energy at 0K	-1356.641419
Energy at 298.15K	-1356.641677
HF Energy	-1356.641419
Nuclear repulsion energy	245.311593

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1199	1199	381.91
2	A₁	519	519	23.44
3	A₁	305	305	0.01
4	B₁	483	483	2.84
5	B₂	810	810	274.99
6	B₂	313	313	0.29

Atom	y (Å)	z (Å)
C1	0.000	0.137
S2	0.000	1.732
Cl3	1.432	-0.839
Cl4	-1.432	-0.839

	C1	S2	Cl3	Cl4
C1		1.5950	1.7335	1.7335
S2	1.5950		2.9435	2.9435
Cl3	1.7335	2.9435		2.8645
Cl4	1.7335	2.9435	2.8645

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
S2	C1	Cl3	124.290		S2	C1	Cl4	124.290
Cl3	C1	Cl4	111.420

All results from a given calculation for Cl₂CS (Thiophosgene)

using model chemistry: M06-2X/6-311G*

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	-0.355
2	S	0.170
3	Cl	0.093
4	Cl	0.093

	x	y	z	Total
	0.000	0.000	-0.363	0.363
CHELPG
AIM
ESP

<r²>	169.113
(<r²>)^1/2	13.004

All results from a given calculation for Cl2CS (Thiophosgene)

using model chemistry: M06-2X/6-311G*

States and conformations

All results from a given calculation for Cl₂CS (Thiophosgene)