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	hartrees
Energy at 0K	-437.268423
Energy at 298.15K
HF Energy	-437.268423
Nuclear repulsion energy	44.534783

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	2985	2985	36.92	166.94	0.11	0.19
2	A₁	1438	1438	4.19	5.52	0.75	0.86
3	A₁	1064	1064	11.33	32.58	0.11	0.19
4	B₁	985	985	40.18	0.00	0.75	0.86
5	B₂	3062	3062	5.99	137.08	0.75	0.86
6	B₂	971	971	2.74	0.12	0.75	0.86

Atom	y (Å)	z (Å)
S1	0.000	0.588
C2	0.000	-1.031
H3	0.930	-1.613
H4	-0.930	-1.613

	S1	C2	H3	H4
S1		1.6191	2.3896	2.3896
C2	1.6191		1.0970	1.0970
H3	2.3896	1.0970		1.8598
H4	2.3896	1.0970	1.8598

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
S1	C2	H3	122.044		S1	C2	H4	122.044
H3	C2	H4	115.911

All results from a given calculation for H₂CS (Thioformaldehyde)

using model chemistry: PBEPBE/daug-cc-pVTZ

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	-0.338
2	C	-0.686
3	H	0.512
4	H	0.512

	x	y	z	Total
	0.000	0.000	-1.700	1.700
CHELPG
AIM
ESP

<r²>	30.893
(<r²>)^1/2	5.558

All results from a given calculation for H2CS (Thioformaldehyde)

using model chemistry: PBEPBE/daug-cc-pVTZ

States and conformations

All results from a given calculation for H₂CS (Thioformaldehyde)