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	hartrees
Energy at 0K	-436.457637
Energy at 298.15K	-436.459056
HF Energy	-436.457637
Nuclear repulsion energy	44.232790

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3323	3000	9.97
2	A₁	1651	1491	1.60
3	A₁	1101	994	33.20
4	B₁	1162	1049	75.55
5	B₂	3428	3095	3.19
6	B₂	1109	1002	6.00

Atom	y (Å)	z (Å)
S1	0.000	0.595
C2	0.000	-1.047
H3	0.912	-1.614
H4	-0.912	-1.614

	S1	C2	H3	H4
S1		1.6420	2.3891	2.3891
C2	1.6420		1.0734	1.0734
H3	2.3891	1.0734		1.8239
H4	2.3891	1.0734	1.8239

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
S1	C2	H3	121.834		S1	C2	H4	121.834
H3	C2	H4	116.333

All results from a given calculation for H₂CS (Thioformaldehyde)

using model chemistry: HF/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	0.063
2	C	-0.497
3	H	0.217
4	H	0.217

	x	y	z	Total
	0.000	0.000	-2.572	2.572
CHELPG	0.000	0.000	-2.563	2.563
AIM
ESP

<r²>	31.275
(<r²>)^1/2	5.592

All results from a given calculation for H2CS (Thioformaldehyde)

using model chemistry: HF/6-31G

States and conformations

All results from a given calculation for H₂CS (Thioformaldehyde)