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	hartrees
Energy at 0K	-435.328236
Energy at 298.15K	-435.329630
HF Energy	-435.328236
Nuclear repulsion energy	44.723722

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3082	2957	23.67
2	A₁	1546	1484	4.79
3	A₁	1111	1066	16.15
4	B₁	1050	1007	68.79
5	B₂	3165	3036	9.43
6	B₂	1042	1000	8.04

Atom	y (Å)	z (Å)
S1	0.000	0.586
C2	0.000	-1.026
H3	0.923	-1.611
H4	-0.923	-1.611

	S1	C2	H3	H4
S1		1.6119	2.3827	2.3827
C2	1.6119		1.0924	1.0924
H3	2.3827	1.0924		1.8451
H4	2.3827	1.0924	1.8451

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
S1	C2	H3	122.379		S1	C2	H4	122.379
H3	C2	H4	115.243

All results from a given calculation for H₂CS (Thioformaldehyde)

using model chemistry: B3PW91/3-21G*

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	0.044
2	C	-0.536
3	H	0.246
4	H	0.246

	x	y	z	Total
	0.000	0.000	-1.780	1.780
CHELPG
AIM
ESP

<r²>	30.531
(<r²>)^1/2	5.525

All results from a given calculation for H2CS (Thioformaldehyde)

using model chemistry: B3PW91/3-21G*

States and conformations

All results from a given calculation for H₂CS (Thioformaldehyde)