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	hartrees
Energy at 0K	-437.517017
Energy at 298.15K
HF Energy	-437.517017
Nuclear repulsion energy	44.890095

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3062	3062	32.75
2	A₁	1495	1495	3.52
3	A₁	1090	1090	13.79
4	B₁	1031	1031	41.16
5	B₂	3139	3139	4.50
6	B₂	1004	1004	2.42

Atom	y (Å)	z (Å)
S1	0.000	0.584
C2	0.000	-1.023
H3	0.921	-1.602
H4	-0.921	-1.602

	S1	C2	H3	H4
S1		1.6065	2.3714	2.3714
C2	1.6065		1.0875	1.0875
H3	2.3714	1.0875		1.8411
H4	2.3714	1.0875	1.8411

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
S1	C2	H3	122.170		S1	C2	H4	122.170
H3	C2	H4	115.661

All results from a given calculation for H₂CS (Thioformaldehyde)

using model chemistry: B3LYPultrafine/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	0.023
2	C	-0.690
3	H	0.333
4	H	0.333

	x	y	z	Total
	0.000	0.000	-1.737	1.737
CHELPG
AIM
ESP

<r²>	30.609
(<r²>)^1/2	5.533

All results from a given calculation for H2CS (Thioformaldehyde)

using model chemistry: B3LYPultrafine/aug-cc-pV(T+d)Z

States and conformations

All results from a given calculation for H₂CS (Thioformaldehyde)