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	hartrees
Energy at 0K	-437.490646
Energy at 298.15K
HF Energy	-437.490646
Nuclear repulsion energy	44.456956

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)	Raman Act (Å⁴/u)	Dep P	Dep U
1	A₁	3057	3057	37.89	158.65	0.11	0.20
2	A₁	1490	1490	5.44	4.84	0.72	0.84
3	A₁	1086	1086	13.59	37.78	0.11	0.20
4	B₁	1035	1035	40.17	0.02	0.75	0.86
5	B₂	3151	3151	7.32	126.97	0.75	0.86
6	B₂	996	996	2.01	0.19	0.75	0.86

Atom	y (Å)	z (Å)
S1	0.000	0.589
C2	0.000	-1.034
H3	0.931	-1.614
H4	-0.931	-1.614

	S1	C2	H3	H4
S1		1.6229	2.3915	2.3915
C2	1.6229		1.0969	1.0969
H3	2.3915	1.0969		1.8621
H4	2.3915	1.0969	1.8621

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
S1	C2	H3	121.918		S1	C2	H4	121.918
H3	C2	H4	116.164

All results from a given calculation for H₂CS (Thioformaldehyde)

using model chemistry: TPSSh/daug-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	0.231
2	C	0.536
3	H	-0.383
4	H	-0.383

	x	y	z	Total
	0.000	0.000	-1.850	1.850
CHELPG
AIM
ESP

<r²>	30.887
(<r²>)^1/2	5.558

All results from a given calculation for H2CS (Thioformaldehyde)

using model chemistry: TPSSh/daug-cc-pVDZ

States and conformations

All results from a given calculation for H₂CS (Thioformaldehyde)