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	hartrees
Energy at 0K	-437.474119
Energy at 298.15K	-437.475511
HF Energy	-437.474119
Nuclear repulsion energy	44.973453

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3090	2954	27.47
2	A₁	1501	1435	2.90
3	A₁	1118	1068	15.22
4	B₁	1047	1001	41.89
5	B₂	3179	3039	5.33
6	B₂	1008	964	2.14

Atom	y (Å)	z (Å)
S1	0.000	0.582
C2	0.000	-1.020
H3	0.922	-1.598
H4	-0.922	-1.598

	S1	C2	H3	H4
S1		1.6029	2.3670	2.3670
C2	1.6029		1.0876	1.0876
H3	2.3670	1.0876		1.8435
H4	2.3670	1.0876	1.8435

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
S1	C2	H3	122.056		S1	C2	H4	122.056
H3	C2	H4	115.887

All results from a given calculation for H₂CS (Thioformaldehyde)

using model chemistry: wB97X-D/cc-pVTZ

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	-0.094
2	C	-0.174
3	H	0.134
4	H	0.134

	x	y	z	Total
	0.000	0.000	-1.817	1.817
CHELPG
AIM
ESP

<r²>	30.301
(<r²>)^1/2	5.505

All results from a given calculation for H2CS (Thioformaldehyde)

using model chemistry: wB97X-D/cc-pVTZ

States and conformations

All results from a given calculation for H₂CS (Thioformaldehyde)