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	hartrees
Energy at 0K	-16.934707
Energy at 298.15K	-16.936092
HF Energy	-16.934707
Nuclear repulsion energy	14.387600

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3084	3084	21.18
2	A₁	1512	1512	0.87
3	A₁	1037	1037	12.67
4	B₁	1055	1055	84.04
5	B₂	3203	3203	15.51
6	B₂	1020	1020	11.49

Atom	y (Å)	z (Å)
S1	0.000	0.604
C2	0.000	-1.066
H3	0.928	-1.638
H4	-0.928	-1.638

	S1	C2	H3	H4
S1		1.6699	2.4270	2.4270
C2	1.6699		1.0907	1.0907
H3	2.4270	1.0907		1.8568
H4	2.4270	1.0907	1.8568

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
S1	C2	H3	121.661		S1	C2	H4	121.661
H3	C2	H4	116.678

All results from a given calculation for H₂CS (Thioformaldehyde)

using model chemistry: wB97X-D/CEP-121G

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	0.046
2	C	-0.461
3	H	0.208
4	H	0.208

	x	y	z	Total
	0.000	0.000	-2.208	2.208
CHELPG
AIM
ESP

<r²>	25.330
(<r²>)^1/2	5.033

All results from a given calculation for H2CS (Thioformaldehyde)

using model chemistry: wB97X-D/CEP-121G

States and conformations

All results from a given calculation for H₂CS (Thioformaldehyde)