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	hartrees
Energy at 0K	-434.001292
Energy at 298.15K	-434.002656
HF Energy	-434.001292
Nuclear repulsion energy	43.822653

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3025	2975	10.78
2	A₁	1477	1452	2.36
3	A₁	1023	1006	11.73
4	B₁	1000	984	84.66
5	B₂	3124	3072	6.32
6	B₂	999	983	10.25

Atom	y (Å)	z (Å)
S1	0.000	0.599
C2	0.000	-1.053
H3	0.935	-1.631
H4	-0.935	-1.631

	S1	C2	H3	H4
S1		1.6515	2.4176	2.4176
C2	1.6515		1.0995	1.0995
H3	2.4176	1.0995		1.8709
H4	2.4176	1.0995	1.8709

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
S1	C2	H3	121.698		S1	C2	H4	121.698
H3	C2	H4	116.603

All results from a given calculation for H₂CS (Thioformaldehyde)

using model chemistry: LSDA/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	0.192
2	C	-0.715
3	H	0.261
4	H	0.261

	x	y	z	Total
	0.000	0.000	-1.943	1.943
CHELPG
AIM
ESP

<r²>	31.422
(<r²>)^1/2	5.606

All results from a given calculation for H2CS (Thioformaldehyde)

using model chemistry: LSDA/3-21G

States and conformations

All results from a given calculation for H₂CS (Thioformaldehyde)