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	hartrees
Energy at 0K	-437.462440
Energy at 298.15K
HF Energy	-437.462440
Nuclear repulsion energy	44.287372

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	3000	3000	44.20	165.89	0.10	0.18
2	A₁	1450	1450	5.75	4.57	0.75	0.86
3	A₁	1059	1059	12.24	34.02	0.12	0.21
4	B₁	1001	1001	40.26	0.04	0.75	0.86
5	B₂	3092	3092	10.54	137.42	0.75	0.86
6	B₂	983	983	2.81	0.24	0.75	0.86

Atom	y (Å)	z (Å)
S1	0.000	0.592
C2	0.000	-1.037
H3	0.934	-1.621
H4	-0.934	-1.621

	S1	C2	H3	H4
S1		1.6287	2.4018	2.4018
C2	1.6287		1.1018	1.1018
H3	2.4018	1.1018		1.8690
H4	2.4018	1.1018	1.8690

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
S1	C2	H3	121.992		S1	C2	H4	121.992
H3	C2	H4	116.015

All results from a given calculation for H₂CS (Thioformaldehyde)

using model chemistry: B97D3/aug-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	0.091
2	C	0.382
3	H	-0.236
4	H	-0.236

	x	y	z	Total
	0.000	0.000	-1.788	1.788
CHELPG
AIM
ESP

<r²>	31.069
(<r²>)^1/2	5.574

All results from a given calculation for H2CS (Thioformaldehyde)

using model chemistry: B97D3/aug-cc-pVDZ

States and conformations

All results from a given calculation for H₂CS (Thioformaldehyde)