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	hartrees
Energy at 0K	-437.264646
Energy at 298.15K
HF Energy	-437.264646
Nuclear repulsion energy	44.644034

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	2981	2945	37.55	172.52	0.11	0.20
2	A₁	1441	1424	5.16	6.91	0.55	0.71
3	A₁	1071	1058	11.16	24.54	0.22	0.37
4	B₁	987	976	40.14	0.00	0.75	0.86
5	B₂	3061	3024	10.20	125.10	0.75	0.86
6	B₂	973	961	3.26	1.72	0.75	0.86

Atom	y (Å)	z (Å)
S1	0.000	0.587
C2	0.000	-1.027
H3	0.929	-1.612
H4	-0.929	-1.612

	S1	C2	H3	H4
S1		1.6137	2.3871	2.3871
C2	1.6137		1.0978	1.0978
H3	2.3871	1.0978		1.8574
H4	2.3871	1.0978	1.8574

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
S1	C2	H3	122.224		S1	C2	H4	122.224
H3	C2	H4	115.553

All results from a given calculation for H₂CS (Thioformaldehyde)

using model chemistry: PBEPBE/Def2TZVPP

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	-0.132
2	C	-0.111
3	H	0.122
4	H	0.122

	x	y	z	Total
	0.000	0.000	-1.629	1.629
CHELPG
AIM
ESP

<r²>	30.683
(<r²>)^1/2	5.539

All results from a given calculation for H2CS (Thioformaldehyde)

using model chemistry: PBEPBE/Def2TZVPP

States and conformations

All results from a given calculation for H₂CS (Thioformaldehyde)