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	hartrees
Energy at 0K	-437.324688
Energy at 298.15K
HF Energy	-437.324688
Nuclear repulsion energy	45.018663

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3077	3077	31.01
2	A₁	1490	1490	3.09
3	A₁	1115	1115	14.58
4	B₁	1034	1034	42.06
5	B₂	3160	3160	3.51
6	B₂	1002	1002	2.43

Atom	y (Å)	z (Å)
S1	0.000	0.582
C2	0.000	-1.019
H3	0.922	-1.598
H4	-0.922	-1.598

	S1	C2	H3	H4
S1		1.6003	2.3664	2.3664
C2	1.6003		1.0890	1.0890
H3	2.3664	1.0890		1.8447
H4	2.3664	1.0890	1.8447

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
S1	C2	H3	122.113		S1	C2	H4	122.113
H3	C2	H4	115.774

All results from a given calculation for H₂CS (Thioformaldehyde)

using model chemistry: HSEh1PBE/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	-0.030
2	C	-0.652
3	H	0.341
4	H	0.341

	x	y	z	Total
	0.000	0.000	-1.756	1.756
CHELPG
AIM
ESP

<r²>	30.397
(<r²>)^1/2	5.513

All results from a given calculation for H2CS (Thioformaldehyde)

using model chemistry: HSEh1PBE/aug-cc-pV(T+d)Z

States and conformations

All results from a given calculation for H₂CS (Thioformaldehyde)