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	hartrees
Energy at 0K	-432.322233
Energy at 298.15K	-432.323577
HF Energy	-432.322233
Nuclear repulsion energy	44.373144

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3176	2902	1.43
2	A₁	1650	1507	4.85
3	A₁	1185	1083	5.45
4	B₁	990	905	21.06
5	B₂	3298	3013	19.99
6	B₂	1082	988	0.05

Atom	y (Å)	z (Å)
S1	0.000	0.591
C2	0.000	-1.026
H3	0.923	-1.652
H4	-0.923	-1.652

	S1	C2	H3	H4
S1		1.6173	2.4255	2.4255
C2	1.6173		1.1154	1.1154
H3	2.4255	1.1154		1.8467
H4	2.4255	1.1154	1.8467

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
S1	C2	H3	124.121		S1	C2	H4	124.121
H3	C2	H4	111.759

All results from a given calculation for H₂CS (Thioformaldehyde)

using model chemistry: PBEPBE/STO-3G

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	0.114
2	C	-0.261
3	H	0.073
4	H	0.073

	x	y	z	Total
	0.000	0.000	-0.639	0.639
CHELPG
AIM
ESP

<r²>	29.533
(<r²>)^1/2	5.434

All results from a given calculation for H2CS (Thioformaldehyde)

using model chemistry: PBEPBE/STO-3G

States and conformations

All results from a given calculation for H₂CS (Thioformaldehyde)