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	hartrees
Energy at 0K	-435.396780
Energy at 298.15K	-435.398172
HF Energy	-435.396780
Nuclear repulsion energy	44.652092

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3080	2963	24.39
2	A₁	1553	1494	5.48
3	A₁	1097	1055	16.03
4	B₁	1048	1008	61.60
5	B₂	3158	3038	10.97
6	B₂	1041	1002	7.05

Atom	y (Å)	z (Å)
S1	0.000	0.587
C2	0.000	-1.028
H3	0.921	-1.614
H4	-0.921	-1.614

	S1	C2	H3	H4
S1		1.6155	2.3857	2.3857
C2	1.6155		1.0911	1.0911
H3	2.3857	1.0911		1.8415
H4	2.3857	1.0911	1.8415

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
S1	C2	H3	122.447		S1	C2	H4	122.447
H3	C2	H4	115.107

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	0.034
2	C	-0.484
3	H	0.225
4	H	0.225

	x	y	z	Total
	0.000	0.000	-1.757	1.757
CHELPG
AIM
ESP

<r²>	30.617
(<r²>)^1/2	5.533

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)