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	hartrees
Energy at 0K	-437.241224
Energy at 298.15K
HF Energy	-437.241224
Nuclear repulsion energy	44.401035

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2974	2974	35.12
2	A₁	1417	1417	6.85
3	A₁	1076	1076	12.28
4	B₁	971	971	37.27
5	B₂	3060	3060	13.30
6	B₂	960	960	3.88

Atom	y (Å)	z (Å)
S1	0.000	0.590
C2	0.000	-1.031
H3	0.938	-1.625
H4	-0.938	-1.625

	S1	C2	H3	H4
S1		1.6201	2.4047	2.4047
C2	1.6201		1.1102	1.1102
H3	2.4047	1.1102		1.8755
H4	2.4047	1.1102	1.8755

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
S1	C2	H3	122.360		S1	C2	H4	122.360
H3	C2	H4	115.280

All results from a given calculation for H₂CS (Thioformaldehyde)

using model chemistry: PBEPBE/cc-pV(D+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	-0.066
2	C	-0.099
3	H	0.083
4	H	0.083

	x	y	z	Total
	0.000	0.000	-1.554	1.554
CHELPG
AIM
ESP

<r²>	30.724
(<r²>)^1/2	5.543

All results from a given calculation for H2CS (Thioformaldehyde)

using model chemistry: PBEPBE/cc-pV(D+d)Z

States and conformations

All results from a given calculation for H₂CS (Thioformaldehyde)