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	hartrees
Energy at 0K	-437.185521
Energy at 298.15K	-437.186884
HF Energy	-437.185521
Nuclear repulsion energy	43.432309

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3044	3002	20.73
2	A₁	1488	1467	4.92
3	A₁	1007	993	10.31
4	B₁	1005	991	73.70
5	B₂	3145	3102	14.58
6	B₂	1009	995	10.66

Atom	y (Å)	z (Å)
S1	0.000	0.605
C2	0.000	-1.065
H3	0.933	-1.645
H4	-0.933	-1.645

	S1	C2	H3	H4
S1		1.6703	2.4356	2.4356
C2	1.6703		1.0984	1.0984
H3	2.4356	1.0984		1.8662
H4	2.4356	1.0984	1.8662

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
S1	C2	H3	121.841		S1	C2	H4	121.841
H3	C2	H4	116.317

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	0.088
2	C	-0.492
3	H	0.202
4	H	0.202

	x	y	z	Total
	0.000	0.000	-2.056	2.056
CHELPG
AIM
ESP

<r²>	31.746
(<r²>)^1/2	5.634

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)