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	hartrees
Energy at 0K	-474.396895
Energy at 298.15K
HF Energy	-474.396895
Nuclear repulsion energy	79.349516

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)	Raman Act (Å⁴/u)	Dep P	Dep U
1	A₁	3297	2995	23.02	153.09	0.15	0.26
2	A₁	1937	1760	584.12	45.02	0.19	0.32
3	A₁	1496	1359	4.03	17.63	0.53	0.69
4	A₁	905	822	47.95	35.87	0.29	0.45
5	B₁	893	811	93.29	5.11	0.75	0.86
6	B₁	453	412	4.50	1.04	0.75	0.86
7	B₂	3388	3078	2.56	96.80	0.75	0.86
8	B₂	1023	929	0.15	1.45	0.75	0.86
9	B₂	393	357	1.42	1.17	0.75	0.86

Atom	y (Å)	z (Å)
C1	0.000	-1.742
C2	0.000	-0.448
S3	0.000	1.106
H4	0.929	-2.281
H5	-0.929	-2.281

	C1	C2	S3	H4	H5
C1		1.2939	2.8481	1.0745	1.0745
C2	1.2939		1.5542	2.0555	2.0555
S3	2.8481	1.5542		3.5129	3.5129
H4	1.0745	2.0555	3.5129		1.8584
H5	1.0745	2.0555	3.5129	1.8584

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	C2	S3	180.000		C2	C1	H4	120.146
C2	C1	H5	120.146		H4	C1	H5	119.709

All results from a given calculation for CH₂CS (Thioketene)

using model chemistry: HF/6-311G**

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	-0.278
2	C	-0.086
3	S	0.036
4	H	0.164
5	H	0.164

	x	y	z	Total
	0.000	0.000	-1.654	1.654
CHELPG
AIM
ESP

<r²>	66.516
(<r²>)^1/2	8.156

All results from a given calculation for CH2CS (Thioketene)

using model chemistry: HF/6-311G**

States and conformations

All results from a given calculation for CH₂CS (Thioketene)