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	hartrees
Energy at 0K	-436.176836
Energy at 298.15K	-436.178200
HF Energy	-436.176836
Nuclear repulsion energy	44.648237

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3003	2947	23.38
2	A₁	1443	1416	6.65
3	A₁	1091	1070	11.73
4	B₁	985	966	53.31
5	B₂	3094	3036	6.34
6	B₂	976	958	9.19

Atom	y (Å)	z (Å)
S1	0.000	0.586
C2	0.000	-1.026
H3	0.933	-1.613
H4	-0.933	-1.613

	S1	C2	H3	H4
S1		1.6119	2.3887	2.3887
C2	1.6119		1.1025	1.1025
H3	2.3887	1.1025		1.8664
H4	2.3887	1.1025	1.8664

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
S1	C2	H3	122.170		S1	C2	H4	122.170
H3	C2	H4	115.661

All results from a given calculation for H₂CS (Thioformaldehyde)

using model chemistry: LSDA/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	S	-0.016
2	C	-0.345
3	H	0.181
4	H	0.181

	x	y	z	Total
	0.000	0.000	-1.806	1.806
CHELPG
AIM
ESP

<r²>	30.529
(<r²>)^1/2	5.525

All results from a given calculation for H2CS (Thioformaldehyde)

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

States and conformations

All results from a given calculation for H₂CS (Thioformaldehyde)