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	hartrees
Energy at 0K	-474.958088
Energy at 298.15K
HF Energy	-474.420148
Nuclear repulsion energy	78.368197

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁	3160	3160
2	A₁	1788	1788
3	A₁	1388	1388
4	A₁	834	834
5	B₁	681	681
6	B₁	413	413
7	B₂	3252	3252
8	B₂	934	934
9	B₂	354	354

Atom	y (Å)	z (Å)
C1	0.000	-1.768
C2	0.000	-0.448
S3	0.000	1.120
H4	0.935	-2.313
H5	-0.935	-2.313

	C1	C2	S3	H4	H5
C1		1.3206	2.8885	1.0821	1.0821
C2	1.3206		1.5679	2.0863	2.0863
S3	2.8885	1.5679		3.5579	3.5579
H4	1.0821	2.0863	3.5579		1.8706
H5	1.0821	2.0863	3.5579	1.8706

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	C2	S3	180.000		C2	C1	H4	120.197
C2	C1	H5	120.197		H4	C1	H5	119.606

All results from a given calculation for CH₂CS (Thioketene)

using model chemistry: MP4/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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All results from a given calculation for CH2CS (Thioketene)

using model chemistry: MP4/cc-pV(T+d)Z

States and conformations

All results from a given calculation for CH₂CS (Thioketene)