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	hartrees
Energy at 0K	-437.489224
Energy at 298.15K
HF Energy	-437.489224
Nuclear repulsion energy	44.463520

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	3062	3062	31.69	154.28	0.11	0.20
2	A₁	1478	1478	3.67	4.40	0.71	0.83
3	A₁	1082	1082	13.43	39.18	0.11	0.21
4	B₁	1037	1037	41.81	0.06	0.75	0.86
5	B₂	3156	3156	4.76	123.42	0.75	0.86
6	B₂	998	998	2.24	0.18	0.75	0.86

Atom	y (Å)	z (Å)
S1	0.000	0.589
C2	0.000	-1.033
H3	0.931	-1.613
H4	-0.931	-1.613

	S1	C2	H3	H4
S1		1.6227	2.3911	2.3911
C2	1.6227		1.0966	1.0966
H3	2.3911	1.0966		1.8617
H4	2.3911	1.0966	1.8617

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
S1	C2	H3	121.917		S1	C2	H4	121.917
H3	C2	H4	116.167

All results from a given calculation for H₂CS (Thioformaldehyde)

using model chemistry: B3LYP/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	0.235
2	C	0.840
3	H	-0.537
4	H	-0.537

	x	y	z	Total
	0.000	0.000	-1.811	1.811
CHELPG
AIM
ESP

<r²>	30.996
(<r²>)^1/2	5.567

All results from a given calculation for H2CS (Thioformaldehyde)

using model chemistry: B3LYP/daug-cc-pVDZ

States and conformations

All results from a given calculation for H₂CS (Thioformaldehyde)