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	hartrees
Energy at 0K	-1354.424845
Energy at 298.15K	-1354.425238
HF Energy	-1354.424845
Nuclear repulsion energy	246.876540

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1253	1140	415.22
2	A₁	548	499	13.90
3	A₁	316	288	0.00
4	B₁	533	485	0.17
5	B₂	914	832	224.70
6	B₂	330	300	0.12

Atom	y (Å)	z (Å)
C1	0.000	0.133
S2	0.000	1.720
Cl3	1.424	-0.833
Cl4	-1.424	-0.833

	C1	S2	Cl3	Cl4
C1		1.5876	1.7209	1.7209
S2	1.5876		2.9238	2.9238
Cl3	1.7209	2.9238		2.8486
Cl4	1.7209	2.9238	2.8486

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
S2	C1	Cl3	124.141		S2	C1	Cl4	124.141
Cl3	C1	Cl4	111.718

All results from a given calculation for Cl₂CS (Thiophosgene)

using model chemistry: HF/cc-pVTZ

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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Calc. vs exp. Bad Vib. HF vs MP2 Bad scale factors Low excited states Oddities NaCN Is not linear FAQ Help Units Choose Units Energy Bond length Rotational Constant Moment of Inertia Dipole and Quadrupole Polarizability Explanations Hartree cm-1 Debye Credits Just show me Show me a calculated geometry Summary Using older interface Limit Basis sets Method options List Recent molecules Choose a few Molecules Number of atoms By heavy atoms Diatomics InChI Deuterated Dimers Geometry Point group Point group count Bonds types Isodesmic reactions Bad point group Multiple conformers, states Vibrations Big anharmonicity Energy Enthalpy at 0 Kelvin Similar molecules Similar Isomers Cis/trans Tautomers Multiple conformers, states Ions, Dipoles, etc. List Ions Ionization changes point group Dipole Quadrupole Polarizability Proton Affinities Index of CCCBDB Feedback Error form Wants
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Number	Element	Mulliken
1	C	0.126
2	S	-0.075
3	Cl	-0.026
4	Cl	-0.026

	x	y	z	Total
	0.000	0.000	-0.712	0.712
CHELPG
AIM
ESP

<r²>	167.056
(<r²>)^1/2	12.925

All results from a given calculation for Cl2CS (Thiophosgene)

using model chemistry: HF/cc-pVTZ

States and conformations

All results from a given calculation for Cl₂CS (Thiophosgene)