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	hartrees
Energy at 0K	-437.270224
Energy at 298.15K
HF Energy	-437.270224
Nuclear repulsion energy	44.630198

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2982	2982	37.86
2	A₁	1439	1439	4.23
3	A₁	1068	1068	11.50
4	B₁	986	986	40.17
5	B₂	3057	3057	6.23
6	B₂	971	971	2.86

Atom	y (Å)	z (Å)
S1	0.000	0.587
C2	0.000	-1.028
H3	0.929	-1.612
H4	-0.929	-1.612

	S1	C2	H3	H4
S1		1.6146	2.3868	2.3868
C2	1.6146		1.0974	1.0974
H3	2.3868	1.0974		1.8583
H4	2.3868	1.0974	1.8583

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
S1	C2	H3	122.151		S1	C2	H4	122.151
H3	C2	H4	115.699

All results from a given calculation for H₂CS (Thioformaldehyde)

using model chemistry: PBEPBEultrafine/aug-cc-pV(T+d)Z

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	-0.000
2	C	-0.611
3	H	0.306
4	H	0.306

	x	y	z	Total
	0.000	0.000	-1.675	1.675
CHELPG
AIM
ESP

<r²>	30.812
(<r²>)^1/2	5.551

All results from a given calculation for H2CS (Thioformaldehyde)

using model chemistry: PBEPBEultrafine/aug-cc-pV(T+d)Z

States and conformations

All results from a given calculation for H₂CS (Thioformaldehyde)