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	hartrees
Energy at 0K	-475.388975
Energy at 298.15K
HF Energy	-475.388975
Nuclear repulsion energy	79.176004

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3162	3162	30.24
2	A₁	1843	1843	436.38
3	A₁	1367	1367	1.17
4	A₁	876	876	14.80
5	B₁	719	719	78.44
6	B₁	432	432	8.20
7	B₂	3246	3246	5.65
8	B₂	923	923	0.27
9	B₂	366	366	2.75

Atom	y (Å)	z (Å)
C1	0.000	-1.746
C2	0.000	-0.443
S3	0.000	1.108
H4	0.932	-2.296
H5	-0.932	-2.296

	C1	C2	S3	H4	H5
C1		1.3027	2.8541	1.0827	1.0827
C2	1.3027		1.5514	2.0744	2.0744
S3	2.8541	1.5514		3.5299	3.5299
H4	1.0827	2.0744	3.5299		1.8647
H5	1.0827	2.0744	3.5299	1.8647

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	C2	S3	180.000		C2	C1	H4	120.556
C2	C1	H5	120.556		H4	C1	H5	118.888

All results from a given calculation for CH₂CS (Thioketene)

using model chemistry: HSEh1PBE/aug-cc-pV(T+d)Z

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	-0.653
2	C	0.213
3	S	-0.193
4	H	0.316
5	H	0.316

	x	y	z	Total
	0.000	0.000	-1.098	1.098
CHELPG
AIM
ESP

<r²>	66.480
(<r²>)^1/2	8.154

All results from a given calculation for CH2CS (Thioketene)

using model chemistry: HSEh1PBE/aug-cc-pV(T+d)Z

States and conformations

All results from a given calculation for CH₂CS (Thioketene)