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	hartrees
Energy at 0K	-437.359774
Energy at 298.15K	-437.361156
HF Energy	-437.359774
Nuclear repulsion energy	43.780687

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3133	3000	16.21
2	A₁	1532	1467	3.19
3	A₁	1043	999	11.98
4	B₁	1046	1002	78.25
5	B₂	3238	3101	10.01
6	B₂	1040	996	9.87

Atom	y (Å)	z (Å)
S1	0.000	0.600
C2	0.000	-1.057
H3	0.926	-1.631
H4	-0.926	-1.631

	S1	C2	H3	H4
S1		1.6572	2.4155	2.4155
C2	1.6572		1.0892	1.0892
H3	2.4155	1.0892		1.8515
H4	2.4155	1.0892	1.8515

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
S1	C2	H3	121.791		S1	C2	H4	121.791
H3	C2	H4	116.417

All results from a given calculation for H₂CS (Thioformaldehyde)

using model chemistry: B3PW91/6-31G

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	0.089
2	C	-0.515
3	H	0.213
4	H	0.213

	x	y	z	Total
	0.000	0.000	-2.145	2.145
CHELPG
AIM
ESP

<r²>	31.406
(<r²>)^1/2	5.604

All results from a given calculation for H2CS (Thioformaldehyde)

using model chemistry: B3PW91/6-31G

States and conformations

All results from a given calculation for H₂CS (Thioformaldehyde)