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	hartrees
Energy at 0K	-474.359295
Energy at 298.15K
HF Energy	-474.359295
Nuclear repulsion energy	79.257322

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	3327	3003	20.84	150.99	0.11	0.20
2	A₁	1957	1767	517.47	31.20	0.28	0.44
3	A₁	1508	1361	5.53	21.95	0.53	0.69
4	A₁	906	818	49.33	33.51	0.28	0.43
5	B₁	899	812	93.20	2.83	0.75	0.86
6	B₁	460	415	1.59	2.73	0.75	0.86
7	B₂	3419	3086	2.29	100.58	0.75	0.86
8	B₂	1034	934	0.02	1.18	0.75	0.86
9	B₂	390	352	0.39	0.89	0.75	0.86

Atom	y (Å)	z (Å)
C1	0.000	-1.744
C2	0.000	-0.449
S3	0.000	1.108
H4	0.929	-2.284
H5	-0.929	-2.284

	C1	C2	S3	H4	H5
C1		1.2949	2.8516	1.0744	1.0744
C2	1.2949		1.5567	2.0567	2.0567
S3	2.8516	1.5567		3.5166	3.5166
H4	1.0744	2.0567	3.5166		1.8576
H5	1.0744	2.0567	3.5166	1.8576

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	C2	S3	180.000		C2	C1	H4	120.180
C2	C1	H5	120.180		H4	C1	H5	119.639

All results from a given calculation for CH₂CS (Thioketene)

using model chemistry: HF/6-31G**

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	-0.397
2	C	0.073
3	S	-0.047
4	H	0.185
5	H	0.185

	x	y	z	Total
	0.000	0.000	-1.826	1.826
CHELPG
AIM
ESP

<r²>	66.436
(<r²>)^1/2	8.151

All results from a given calculation for CH2CS (Thioketene)

using model chemistry: HF/6-31G**

States and conformations

All results from a given calculation for CH₂CS (Thioketene)