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	hartrees
Energy at 0K	-435.284999
Energy at 298.15K	-435.286373
HF Energy	-435.284999
Nuclear repulsion energy	43.762091

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3115	3006	13.44
2	A₁	1535	1481	3.08
3	A₁	1012	976	13.43
4	B₁	1032	995	74.87
5	B₂	3212	3099	8.44
6	B₂	1023	987	6.34

Atom	y (Å)	z (Å)
S1	0.000	0.601
C2	0.000	-1.058
H3	0.925	-1.630
H4	-0.925	-1.630

	S1	C2	H3	H4
S1		1.6588	2.4146	2.4146
C2	1.6588		1.0876	1.0876
H3	2.4146	1.0876		1.8509
H4	2.4146	1.0876	1.8509

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
S1	C2	H3	121.689		S1	C2	H4	121.689
H3	C2	H4	116.622

All results from a given calculation for H₂CS (Thioformaldehyde)

using model chemistry: B3LYP/3-21G

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	0.178
2	C	-0.663
3	H	0.242
4	H	0.242

	x	y	z	Total
	0.000	0.000	-2.011	2.011
CHELPG
AIM
ESP	0.000	0.000	-2.026	2.026

<r²>	31.512
(<r²>)^1/2	5.614

All results from a given calculation for H2CS (Thioformaldehyde)

using model chemistry: B3LYP/3-21G

States and conformations

All results from a given calculation for H₂CS (Thioformaldehyde)