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	hartrees
Energy at 0K	-475.017566
Energy at 298.15K
HF Energy	-474.418507
Nuclear repulsion energy	78.657675

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁	3189	3052
2	A₁	1813	1735
3	A₁	1405	1344
4	A₁	847	811
5	B₁	743	711
6	B₁	423	405
7	B₂	3259	3118
8	B₂	945	905
9	B₂	360	345

Atom	y (Å)	z (Å)
C1	0.000	-1.760
C2	0.000	-0.449
S3	0.000	1.116
H4	0.931	-2.302
H5	-0.931	-2.302

	C1	C2	S3	H4	H5
C1		1.3114	2.8769	1.0771	1.0771
C2	1.3114		1.5655	2.0739	2.0739
S3	2.8769	1.5655		3.5432	3.5432
H4	1.0771	2.0739	3.5432		1.8616
H5	1.0771	2.0739	3.5432	1.8616

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	C2	S3	180.000		C2	C1	H4	120.209
C2	C1	H5	120.209		H4	C1	H5	119.582

All results from a given calculation for CH₂CS (Thioketene)

using model chemistry: QCISD(T)=FULL/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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HF vs MP2 Bad vib. Calc. vs exp. 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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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All results from a given calculation for CH2CS (Thioketene)

using model chemistry: QCISD(T)=FULL/cc-pVTZ

States and conformations

All results from a given calculation for CH₂CS (Thioketene)