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	hartrees
Energy at 0K	-16.885710
Energy at 298.15K	-16.887081
HF Energy	-16.885710
Nuclear repulsion energy	14.322710

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3121	2988	30.76
2	A₁	1491	1428	0.77
3	A₁	1033	989	7.62
4	B₁	1029	985	93.10
5	B₂	3236	3098	27.91
6	B₂	1010	967	13.12

Atom	y (Å)	z (Å)
S1	0.000	0.607
C2	0.000	-1.069
H3	0.933	-1.647
H4	-0.933	-1.647

	S1	C2	H3	H4
S1		1.6756	2.4391	2.4391
C2	1.6756		1.0978	1.0978
H3	2.4391	1.0978		1.8669
H4	2.4391	1.0978	1.8669

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
S1	C2	H3	121.757		S1	C2	H4	121.757
H3	C2	H4	116.486

All results from a given calculation for H₂CS (Thioformaldehyde)

using model chemistry: B1B95/CEP-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	-0.002
2	C	-0.446
3	H	0.224
4	H	0.224

	x	y	z	Total
	0.000	0.000	-2.082	2.082
CHELPG
AIM
ESP

<r²>	25.415
(<r²>)^1/2	5.041

All results from a given calculation for H2CS (Thioformaldehyde)

using model chemistry: B1B95/CEP-31G

States and conformations

All results from a given calculation for H₂CS (Thioformaldehyde)