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	hartrees
Energy at 0K	-437.485361
Energy at 298.15K	-437.486739
HF Energy	-437.485361
Nuclear repulsion energy	44.456737

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3058	2974	32.82
2	A₁	1481	1440	7.25
3	A₁	1095	1064	14.16
4	B₁	1015	987	37.81
5	B₂	3148	3061	11.97
6	B₂	991	963	2.78

Atom	y (Å)	z (Å)
S1	0.000	0.589
C2	0.000	-1.032
H3	0.932	-1.618
H4	-0.932	-1.618

	S1	C2	H3	H4
S1		1.6212	2.3959	2.3959
C2	1.6212		1.1007	1.1007
H3	2.3959	1.1007		1.8632
H4	2.3959	1.1007	1.8632

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
S1	C2	H3	122.181		S1	C2	H4	122.181
H3	C2	H4	115.638

All results from a given calculation for H₂CS (Thioformaldehyde)

using model chemistry: TPSSh/cc-pVDZ

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	-0.098
2	C	-0.079
3	H	0.089
4	H	0.089

	x	y	z	Total
	0.000	0.000	-1.748	1.748
CHELPG
AIM
ESP

<r²>	30.653
(<r²>)^1/2	5.537

All results from a given calculation for H2CS (Thioformaldehyde)

using model chemistry: TPSSh/cc-pVDZ

States and conformations

All results from a given calculation for H₂CS (Thioformaldehyde)