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	hartrees
Energy at 0K	-437.501080
Energy at 298.15K	-437.502464
HF Energy	-437.501080
Nuclear repulsion energy	44.606376

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3062	2951	32.20
2	A₁	1510	1455	6.00
3	A₁	1084	1045	13.76
4	B₁	1032	995	47.03
5	B₂	3147	3033	12.31
6	B₂	1008	971	4.31

Atom	y (Å)	z (Å)
S1	0.000	0.588
C2	0.000	-1.031
H3	0.923	-1.610
H4	-0.923	-1.610

	S1	C2	H3	H4
S1		1.6183	2.3838	2.3838
C2	1.6183		1.0902	1.0902
H3	2.3838	1.0902		1.8469
H4	2.3838	1.0902	1.8469

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
S1	C2	H3	122.105		S1	C2	H4	122.105
H3	C2	H4	115.790

All results from a given calculation for H₂CS (Thioformaldehyde)

using model chemistry: TPSSh/TZVP

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	S	-0.076
2	C	-0.225
3	H	0.150
4	H	0.150

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

<r²>	30.671
(<r²>)^1/2	5.538

All results from a given calculation for H2CS (Thioformaldehyde)

using model chemistry: TPSSh/TZVP

States and conformations

All results from a given calculation for H₂CS (Thioformaldehyde)