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	hartrees
Energy at 0K	-437.451238
Energy at 298.15K	-437.452600
HF Energy	-437.451238
Nuclear repulsion energy	44.056332

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2978	2972	38.33
2	A₁	1437	1435	4.96
3	A₁	1034	1032	11.21
4	B₁	996	994	41.21
5	B₂	3066	3060	8.19
6	B₂	972	971	2.93

Atom	y (Å)	z (Å)
S1	0.000	0.595
C2	0.000	-1.043
H3	0.936	-1.629
H4	-0.936	-1.629

	S1	C2	H3	H4
S1		1.6384	2.4131	2.4131
C2	1.6384		1.1044	1.1044
H3	2.4131	1.1044		1.8728
H4	2.4131	1.1044	1.8728

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
S1	C2	H3	122.018		S1	C2	H4	122.018
H3	C2	H4	115.963

All results from a given calculation for H₂CS (Thioformaldehyde)

using model chemistry: BLYP/aug-cc-pVDZ

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	0.098
2	C	0.610
3	H	-0.354
4	H	-0.354

	x	y	z	Total
	0.000	0.000	-1.739	1.739
CHELPG
AIM
ESP

<r²>	31.453
(<r²>)^1/2	5.608

All results from a given calculation for H2CS (Thioformaldehyde)

using model chemistry: BLYP/aug-cc-pVDZ

States and conformations

All results from a given calculation for H₂CS (Thioformaldehyde)