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	hartrees
Energy at 0K	-437.501981
Energy at 298.15K	-437.503366
HF Energy	-437.501981
Nuclear repulsion energy	44.681324

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3063	2961	33.18
2	A₁	1500	1450	6.07
3	A₁	1084	1048	15.48
4	B₁	1032	997	54.22
5	B₂	3149	3044	10.51
6	B₂	1014	981	11.00

Atom	y (Å)	z (Å)
S1	0.000	0.587
C2	0.000	-1.028
H3	0.923	-1.607
H4	-0.923	-1.607

	S1	C2	H3	H4
S1		1.6151	2.3804	2.3804
C2	1.6151		1.0899	1.0899
H3	2.3804	1.0899		1.8467
H4	2.3804	1.0899	1.8467

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
S1	C2	H3	122.090		S1	C2	H4	122.090
H3	C2	H4	115.820

All results from a given calculation for H₂CS (Thioformaldehyde)

using model chemistry: B3LYP/6-311G**

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	0.001
2	C	-0.315
3	H	0.157
4	H	0.157

	x	y	z	Total
	0.000	0.000	-1.804	1.804
CHELPG
AIM
ESP

<r²>	30.878
(<r²>)^1/2	5.557

All results from a given calculation for H2CS (Thioformaldehyde)

using model chemistry: B3LYP/6-311G**

States and conformations

All results from a given calculation for H₂CS (Thioformaldehyde)