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	hartrees
Energy at 0K	-437.426848
Energy at 298.15K	-437.428208
HF Energy	-437.426848
Nuclear repulsion energy	44.186955

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2993	2970	34.15
2	A₁	1471	1459	10.16
3	A₁	1038	1030	12.66
4	B₁	989	981	42.41
5	B₂	3075	3052	15.08
6	B₂	984	976	6.43

Atom	y (Å)	z (Å)
S1	0.000	0.594
C2	0.000	-1.040
H3	0.930	-1.628
H4	-0.930	-1.628

	S1	C2	H3	H4
S1		1.6337	2.4081	2.4081
C2	1.6337		1.0998	1.0998
H3	2.4081	1.0998		1.8591
H4	2.4081	1.0998	1.8591

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
S1	C2	H3	122.303		S1	C2	H4	122.303
H3	C2	H4	115.393

All results from a given calculation for H₂CS (Thioformaldehyde)

using model chemistry: BLYP/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	-0.031
2	C	-0.248
3	H	0.139
4	H	0.139

	x	y	z	Total
	0.000	0.000	-1.822	1.822
CHELPG
AIM
ESP

<r²>	30.970
(<r²>)^1/2	5.565

All results from a given calculation for H2CS (Thioformaldehyde)

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

States and conformations

All results from a given calculation for H₂CS (Thioformaldehyde)