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	hartrees
Energy at 0K	-437.260245
Energy at 298.15K	-437.261632
HF Energy	-437.171603
Nuclear repulsion energy	44.611873

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3127	3127	26.88
2	A₁	1538	1538	8.14
3	A₁	1086	1086	11.17
4	B₁	1040	1040	45.74
5	B₂	3219	3219	9.27
6	B₂	1031	1031	5.74

Atom	y (Å)	z (Å)
S1	0.000	0.588
C2	0.000	-1.031
H3	0.921	-1.610
H4	-0.921	-1.610

	S1	C2	H3	H4
S1		1.6186	2.3833	2.3833
C2	1.6186		1.0884	1.0884
H3	2.3833	1.0884		1.8428
H4	2.3833	1.0884	1.8428

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
S1	C2	H3	122.160		S1	C2	H4	122.160
H3	C2	H4	115.680

All results from a given calculation for H₂CS (Thioformaldehyde)

using model chemistry: B2PLYP/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	-0.025
2	C	-0.277
3	H	0.151
4	H	0.151

	x	y	z	Total
	0.000	0.000	-1.840	1.840
CHELPG
AIM
ESP

<r²>	30.653
(<r²>)^1/2	5.537

All results from a given calculation for H2CS (Thioformaldehyde)

using model chemistry: B2PLYP/6-31G**

States and conformations

All results from a given calculation for H₂CS (Thioformaldehyde)