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	hartrees
Energy at 0K	-1356.581425
Energy at 298.15K	-1356.581583
HF Energy	-1356.581425
Nuclear repulsion energy	238.013432

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1130	1070	311.38
2	A₁	472	447	20.18
3	A₁	291	276	0.89
4	B₁	473	448	1.35
5	B₂	752	712	273.74
6	B₂	306	290	0.14

Atom	y (Å)	z (Å)
C1	0.000	0.152
S2	0.000	1.785
Cl3	1.475	-0.867
Cl4	-1.475	-0.867

	C1	S2	Cl3	Cl4
C1		1.6332	1.7928	1.7928
S2	1.6332		3.0347	3.0347
Cl3	1.7928	3.0347		2.9505
Cl4	1.7928	3.0347	2.9505

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
S2	C1	Cl3	124.629		S2	C1	Cl4	124.629
Cl3	C1	Cl4	110.743

All results from a given calculation for Cl₂CS (Thiophosgene)

using model chemistry: mPW1PW91/6-31G

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	-0.626
2	S	0.247
3	Cl	0.189
4	Cl	0.189

	x	y	z	Total
	0.000	0.000	-0.293	0.293
CHELPG
AIM
ESP

<r²>	177.983
(<r²>)^1/2	13.341

All results from a given calculation for Cl2CS (Thiophosgene)

using model chemistry: mPW1PW91/6-31G

States and conformations

All results from a given calculation for Cl₂CS (Thiophosgene)