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	hartrees
Energy at 0K	-437.521857
Energy at 298.15K	-437.523241
HF Energy	-437.521857
Nuclear repulsion energy	44.864314

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3060	2964	32.63
2	A₁	1496	1449	3.47
3	A₁	1087	1054	13.65
4	B₁	1031	999	41.17
5	B₂	3140	3042	4.46
6	B₂	1006	974	2.41

Atom	y (Å)	z (Å)
S1	0.000	0.584
C2	0.000	-1.024
H3	0.920	-1.603
H4	-0.920	-1.603

	S1	C2	H3	H4
S1		1.6077	2.3724	2.3724
C2	1.6077		1.0871	1.0871
H3	2.3724	1.0871		1.8402
H4	2.3724	1.0871	1.8402

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
S1	C2	H3	122.182		S1	C2	H4	122.182
H3	C2	H4	115.635

All results from a given calculation for H₂CS (Thioformaldehyde)

using model chemistry: B3LYP/aug-cc-pVQZ

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	0.262
2	C	-0.953
3	H	0.345
4	H	0.345

	x	y	z	Total
	0.000	0.000	-1.746	1.746
CHELPG
AIM
ESP

<r²>	30.628
(<r²>)^1/2	5.534

All results from a given calculation for H2CS (Thioformaldehyde)

using model chemistry: B3LYP/aug-cc-pVQZ

States and conformations

All results from a given calculation for H₂CS (Thioformaldehyde)