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	hartrees
Energy at 0K	-1341.386043
Energy at 298.15K	-1341.386096
HF Energy	-1341.386043
Nuclear repulsion energy	238.091405

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1376	1215	197.59
2	A₁	526	465	17.01
3	A₁	283	250	2.56
4	B₁	457	403	1.56
5	B₂	864	763	251.59
6	B₂	310	274	0.07

Atom	y (Å)	z (Å)
C1	0.000	0.197
S2	0.000	1.781
Cl3	1.474	-0.873
Cl4	-1.474	-0.873

	C1	S2	Cl3	Cl4
C1		1.5834	1.8212	1.8212
S2	1.5834		3.0351	3.0351
Cl3	1.8212	3.0351		2.9475
Cl4	1.8212	3.0351	2.9475

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
S2	C1	Cl3	125.979		S2	C1	Cl4	125.979
Cl3	C1	Cl4	108.042

All results from a given calculation for Cl₂CS (Thiophosgene)

using model chemistry: HSEh1PBE/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	-0.066
2	S	0.236
3	Cl	-0.085
4	Cl	-0.085

	x	y	z	Total
	0.000	0.000	1.805	1.805
CHELPG
AIM
ESP

<r²>	175.492
(<r²>)^1/2	13.247

All results from a given calculation for Cl2CS (Thiophosgene)

using model chemistry: HSEh1PBE/STO-3G

States and conformations

All results from a given calculation for Cl₂CS (Thiophosgene)