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	hartrees
Energy at 0K	-1339.688579
Energy at 298.15K	-1339.688787
HF Energy	-1339.688579
Nuclear repulsion energy	240.941976

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1480	1209	187.97
2	A₁	576	470	12.60
3	A₁	302	247	3.06
4	B₁	490	400	3.95
5	B₂	1001	817	232.83
6	B₂	335	273	1.53

Atom	y (Å)	z (Å)
C1	0.000	0.183
S2	0.000	1.747
Cl3	1.469	-0.854
Cl4	-1.469	-0.854

	C1	S2	Cl3	Cl4
C1		1.5640	1.7981	1.7981
S2	1.5640		2.9870	2.9870
Cl3	1.7981	2.9870		2.9382
Cl4	1.7981	2.9870	2.9382

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
S2	C1	Cl3	125.212		S2	C1	Cl4	125.212
Cl3	C1	Cl4	109.575

All results from a given calculation for Cl₂CS (Thiophosgene)

using model chemistry: HF/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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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	-0.037
2	S	0.246
3	Cl	-0.104
4	Cl	-0.104

	x	y	z	Total
	0.000	0.000	1.859	1.859
CHELPG
AIM
ESP

<r²>	172.354
(<r²>)^1/2	13.128

All results from a given calculation for Cl2CS (Thiophosgene)

using model chemistry: HF/STO-3G

States and conformations

All results from a given calculation for Cl₂CS (Thiophosgene)