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	hartrees
Energy at 0K	-437.515849
Energy at 298.15K	-437.517234
HF Energy	-437.515849
Nuclear repulsion energy	44.892875

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3059	2953	33.91
2	A₁	1495	1443	4.31
3	A₁	1090	1053	13.90
4	B₁	1031	995	40.16
5	B₂	3138	3030	8.28
6	B₂	1005	971	2.52

Atom	y (Å)	z (Å)
S1	0.000	0.584
C2	0.000	-1.022
H3	0.920	-1.603
H4	-0.920	-1.603

	S1	C2	H3	H4
S1		1.6061	2.3721	2.3721
C2	1.6061		1.0879	1.0879
H3	2.3721	1.0879		1.8405
H4	2.3721	1.0879	1.8405

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
S1	C2	H3	122.233		S1	C2	H4	122.233
H3	C2	H4	115.534

All results from a given calculation for H₂CS (Thioformaldehyde)

using model chemistry: B3LYP/cc-pV(T+d)Z

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	-0.071
2	C	-0.207
3	H	0.139
4	H	0.139

	x	y	z	Total
	0.000	0.000	-1.704	1.704
CHELPG
AIM
ESP

<r²>	30.491
(<r²>)^1/2	5.522

All results from a given calculation for H2CS (Thioformaldehyde)

using model chemistry: B3LYP/cc-pV(T+d)Z

States and conformations

All results from a given calculation for H₂CS (Thioformaldehyde)