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	hartrees
Energy at 0K	-437.484920
Energy at 298.15K
HF Energy	-437.484920
Nuclear repulsion energy	44.484324

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2972	2972	40.53
2	A₁	1453	1453	5.84
3	A₁	1042	1042	11.38
4	B₁	988	988	38.10
5	B₂	3047	3047	12.64
6	B₂	979	979	2.63

Atom	y (Å)	z (Å)
S1	0.000	0.589
C2	0.000	-1.033
H3	0.926	-1.617
H4	-0.926	-1.617

	S1	C2	H3	H4
S1		1.6220	2.3924	2.3924
C2	1.6220		1.0947	1.0947
H3	2.3924	1.0947		1.8519
H4	2.3924	1.0947	1.8519

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
S1	C2	H3	122.234		S1	C2	H4	122.234
H3	C2	H4	115.532

All results from a given calculation for H₂CS (Thioformaldehyde)

using model chemistry: BLYP/cc-pCVTZ

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	-0.068
2	C	-0.204
3	H	0.136
4	H	0.136

	x	y	z	Total
	0.000	0.000	-1.625	1.625
CHELPG
AIM
ESP

<r²>	30.887
(<r²>)^1/2	5.558

All results from a given calculation for H2CS (Thioformaldehyde)

using model chemistry: BLYP/cc-pCVTZ

States and conformations

All results from a given calculation for H₂CS (Thioformaldehyde)