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	hartrees
Energy at 0K	-437.404305
Energy at 298.15K
HF Energy	-437.404305
Nuclear repulsion energy	43.462380

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	3053	3053	26.52	156.36	0.12	0.21
2	A₁	1505	1505	5.95	12.34	0.41	0.58
3	A₁	998	998	10.66	22.58	0.35	0.52
4	B₁	1009	1009	70.71	0.17	0.75	0.86
5	B₂	3155	3155	20.14	115.59	0.75	0.86
6	B₂	1019	1019	9.43	11.28	0.75	0.86

Atom	y (Å)	z (Å)
S1	0.000	0.605
C2	0.000	-1.065
H3	0.930	-1.643
H4	-0.930	-1.643

	S1	C2	H3	H4
S1		1.6703	2.4327	2.4327
C2	1.6703		1.0945	1.0945
H3	2.4327	1.0945		1.8591
H4	2.4327	1.0945	1.8591

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
S1	C2	H3	121.864		S1	C2	H4	121.864
H3	C2	H4	116.272

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	0.078
2	C	-0.467
3	H	0.195
4	H	0.195

	x	y	z	Total
	0.000	0.000	-2.082	2.082
CHELPG
AIM
ESP

<r²>	31.655
(<r²>)^1/2	5.626

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)