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	hartrees
Energy at 0K	-475.156262
Energy at 298.15K
HF Energy	-474.413524
Nuclear repulsion energy	78.654630

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁	3164	3164
2	A₁	1800	1800
3	A₁	1389	1389
4	A₁	848	848
5	B₁	705	705
6	B₁	415	415
7	B₂	3258	3258
8	B₂	937	937
9	B₂	355	355

Atom	y (Å)	z (Å)
C1	0.000	-1.761
C2	0.000	-0.446
S3	0.000	1.116
H4	0.933	-2.307
H5	-0.933	-2.307

	C1	C2	S3	H4	H5
C1		1.3151	2.8767	1.0814	1.0814
C2	1.3151		1.5616	2.0824	2.0824
S3	2.8767	1.5616		3.5481	3.5481
H4	1.0814	2.0824	3.5481		1.8663
H5	1.0814	2.0824	3.5481	1.8663

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	C2	S3	180.000		C2	C1	H4	120.355
C2	C1	H5	120.355		H4	C1	H5	119.291

All results from a given calculation for CH₂CS (Thioketene)

using model chemistry: QCISD(T)=FULL/6-311+G(3df,2p)

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/6-311+G(3df,2p)

States and conformations

All results from a given calculation for CH₂CS (Thioketene)