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	hartrees
Energy at 0K	-432.512547
Energy at 298.15K	-432.513910
HF Energy	-432.512547
Nuclear repulsion energy	44.710116

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3281	2904	0.00
2	A₁	1692	1497	3.50
3	A₁	1224	1084	6.55
4	B₁	1029	911	21.43
5	B₂	3411	3019	13.61
6	B₂	1108	980	0.14

Atom	y (Å)	z (Å)
S1	0.000	0.587
C2	0.000	-1.018
H3	0.917	-1.638
H4	-0.917	-1.638

	S1	C2	H3	H4
S1		1.6051	2.4065	2.4065
C2	1.6051		1.1071	1.1071
H3	2.4065	1.1071		1.8349
H4	2.4065	1.1071	1.8349

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
S1	C2	H3	124.035		S1	C2	H4	124.035
H3	C2	H4	111.930

All results from a given calculation for H₂CS (Thioformaldehyde)

using model chemistry: B3PW91/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	0.115
2	C	-0.263
3	H	0.074
4	H	0.074

	x	y	z	Total
	0.000	0.000	-0.703	0.703
CHELPG
AIM
ESP

<r²>	29.251
(<r²>)^1/2	5.408

All results from a given calculation for H2CS (Thioformaldehyde)

using model chemistry: B3PW91/STO-3G

States and conformations

All results from a given calculation for H₂CS (Thioformaldehyde)