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	hartrees
Energy at 0K	-437.217108
Energy at 298.15K	-437.218472
HF Energy	-437.217108
Nuclear repulsion energy	44.339884

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3009	2966	33.53
2	A₁	1478	1457	9.61
3	A₁	1069	1054	12.56
4	B₁	991	977	49.46
5	B₂	3090	3046	12.87
6	B₂	992	978	7.92

Atom	y (Å)	z (Å)
S1	0.000	0.591
C2	0.000	-1.035
H3	0.931	-1.625
H4	-0.931	-1.625

	S1	C2	H3	H4
S1		1.6257	2.4035	2.4035
C2	1.6257		1.1023	1.1023
H3	2.4035	1.1023		1.8620
H4	2.4035	1.1023	1.8620

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
S1	C2	H3	122.374		S1	C2	H4	122.374
H3	C2	H4	115.253

All results from a given calculation for H₂CS (Thioformaldehyde)

using model chemistry: PBEPBE/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	-0.014
2	C	-0.389
3	H	0.202
4	H	0.202

	x	y	z	Total
	0.000	0.000	-1.831	1.831
CHELPG
AIM
ESP

<r²>	30.807
(<r²>)^1/2	5.550

All results from a given calculation for H2CS (Thioformaldehyde)

using model chemistry: PBEPBE/6-31G*

States and conformations

All results from a given calculation for H₂CS (Thioformaldehyde)