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	hartrees
Energy at 0K	-437.462334
Energy at 298.15K	-437.463714
HF Energy	-437.462334
Nuclear repulsion energy	44.576313

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3092	2969	29.63
2	A₁	1527	1466	8.89
3	A₁	1087	1044	15.21
4	B₁	1031	990	46.99
5	B₂	3174	3048	10.82
6	B₂	1019	979	6.47

Atom	y (Å)	z (Å)
S1	0.000	0.588
C2	0.000	-1.030
H3	0.923	-1.615
H4	-0.923	-1.615

	S1	C2	H3	H4
S1		1.6184	2.3886	2.3886
C2	1.6184		1.0928	1.0928
H3	2.3886	1.0928		1.8467
H4	2.3886	1.0928	1.8467

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
S1	C2	H3	122.334		S1	C2	H4	122.334
H3	C2	H4	115.332

All results from a given calculation for H₂CS (Thioformaldehyde)

using model chemistry: B3LYP/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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	z	Total
	-1.893	1.893
CHELPG	-1.907	1.907
AIM	-1.845	1.845
ESP	-1.934	1.934

Number	Element	Mulliken
1	S	-0.029
2	C	-0.357
3	H	0.193
4	H	0.193

<r²>	30.621
(<r²>)^1/2	5.534

All results from a given calculation for H2CS (Thioformaldehyde)

using model chemistry: B3LYP/6-31G*

States and conformations

All results from a given calculation for H₂CS (Thioformaldehyde)