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	hartrees
Energy at 0K	-44.658036
Energy at 298.15K	-44.658334
HF Energy	-44.658036
Nuclear repulsion energy	47.823367

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1184	1081	345.86
2	A₁	502	458	10.89
3	A₁	305	278	0.61
4	B₁	497	453	0.18
5	B₂	864	789	222.03
6	B₂	322	294	0.12

Atom	y (Å)	z (Å)
C1	0.000	0.141
S2	0.000	1.778
Cl3	1.477	-0.862
Cl4	-1.477	-0.862

	C1	S2	Cl3	Cl4
C1		1.6374	1.7854	1.7854
S2	1.6374		3.0253	3.0253
Cl3	1.7854	3.0253		2.9546
Cl4	1.7854	3.0253	2.9546

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
S2	C1	Cl3	124.167		S2	C1	Cl4	124.167
Cl3	C1	Cl4	111.666

All results from a given calculation for Cl₂CS (Thiophosgene)

using model chemistry: HF/CEP-121G

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	-0.433
2	S	0.172
3	Cl	0.131
4	Cl	0.131

	x	y	z	Total
	0.000	0.000	-0.341	0.341
CHELPG
AIM
ESP

<r²>	86.774
(<r²>)^1/2	9.315

All results from a given calculation for Cl2CS (Thiophosgene)

using model chemistry: HF/CEP-121G

States and conformations

All results from a given calculation for Cl₂CS (Thiophosgene)