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	hartrees
Energy at 0K	-437.435972
Energy at 298.15K
HF Energy	-437.435972
Nuclear repulsion energy	44.402153

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)	Raman Act (Å⁴/u)	Dep P	Dep U
1	A₁	3020	2961	41.48	151.64	0.12	0.21
2	A₁	1497	1468	11.14	12.16	0.42	0.59
3	A₁	1065	1044	13.55	22.62	0.32	0.49
4	B₁	998	979	46.91	0.00	0.75	0.86
5	B₂	3100	3039	18.43	118.91	0.75	0.86
6	B₂	1005	985	6.94	8.55	0.75	0.86

Atom	y (Å)	z (Å)
S1	0.000	0.590
C2	0.000	-1.034
H3	0.928	-1.622
H4	-0.928	-1.622

	S1	C2	H3	H4
S1		1.6242	2.3990	2.3990
C2	1.6242		1.0984	1.0984
H3	2.3990	1.0984		1.8553
H4	2.3990	1.0984	1.8553

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
S1	C2	H3	122.375		S1	C2	H4	122.375
H3	C2	H4	115.250

All results from a given calculation for H₂CS (Thioformaldehyde)

using model chemistry: B97D3/6-31G*

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	-0.027
2	C	-0.364
3	H	0.195
4	H	0.195

	x	y	z	Total
	0.000	0.000	-1.857	1.857
CHELPG
AIM
ESP

<r²>	30.690
(<r²>)^1/2	5.540

All results from a given calculation for H2CS (Thioformaldehyde)

using model chemistry: B97D3/6-31G*

States and conformations

All results from a given calculation for H₂CS (Thioformaldehyde)