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	hartrees
Energy at 0K	-1341.648087
Energy at 298.15K	-1341.648112
HF Energy	-1341.648087
Nuclear repulsion energy	237.200444

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1359	1202	194.01
2	A₁	517	457	17.21
3	A₁	279	247	2.39
4	B₁	451	399	1.39
5	B₂	844	747	250.12
6	B₂	307	271	0.02

Atom	y (Å)	z (Å)
C1	0.000	0.199
S2	0.000	1.786
Cl3	1.480	-0.876
Cl4	-1.480	-0.876

	C1	S2	Cl3	Cl4
C1		1.5871	1.8293	1.8293
S2	1.5871		3.0460	3.0460
Cl3	1.8293	3.0460		2.9598
Cl4	1.8293	3.0460	2.9598

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
S2	C1	Cl3	126.001		S2	C1	Cl4	126.001
Cl3	C1	Cl4	107.998

All results from a given calculation for Cl₂CS (Thiophosgene)

using model chemistry: B3PW91/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	-0.067
2	S	0.238
3	Cl	-0.085
4	Cl	-0.085

	x	y	z	Total
	0.000	0.000	1.833	1.833
CHELPG
AIM
ESP

<r²>	176.607
(<r²>)^1/2	13.289

All results from a given calculation for Cl2CS (Thiophosgene)

using model chemistry: B3PW91/STO-3G

States and conformations

All results from a given calculation for Cl₂CS (Thiophosgene)