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	hartrees
Energy at 0K	-432.496332
Energy at 298.15K	-432.497667
HF Energy	-432.496332
Nuclear repulsion energy	44.168377

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3135	2900	2.77
2	A₁	1645	1522	5.25
3	A₁	1155	1068	4.78
4	B₁	978	905	19.68
5	B₂	3253	3010	24.95
6	B₂	1072	992	0.12

Atom	y (Å)	z (Å)
S1	0.000	0.594
C2	0.000	-1.032
H3	0.925	-1.659
H4	-0.925	-1.659

	S1	C2	H3	H4
S1		1.6257	2.4356	2.4356
C2	1.6257		1.1176	1.1176
H3	2.4356	1.1176		1.8497
H4	2.4356	1.1176	1.8497

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
S1	C2	H3	124.153		S1	C2	H4	124.153
H3	C2	H4	111.694

All results from a given calculation for H₂CS (Thioformaldehyde)

using model chemistry: BLYP/STO-3G

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	0.122
2	C	-0.252
3	H	0.065
4	H	0.065

	x	y	z	Total
	0.000	0.000	-0.554	0.554
CHELPG
AIM
ESP

<r²>	29.739
(<r²>)^1/2	5.453

All results from a given calculation for H2CS (Thioformaldehyde)

using model chemistry: BLYP/STO-3G

States and conformations

All results from a given calculation for H₂CS (Thioformaldehyde)