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	hartrees
Energy at 0K	-437.482366
Energy at 298.15K	-437.483756
HF Energy	-437.482366
Nuclear repulsion energy	45.036077

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3091	3091	27.55
2	A₁	1501	1501	2.30
3	A₁	1115	1115	15.38
4	B₁	1047	1047	43.31
5	B₂	3180	3180	2.69
6	B₂	1009	1009	2.12

Atom	y (Å)	z (Å)
S1	0.000	0.581
C2	0.000	-1.019
H3	0.922	-1.595
H4	-0.922	-1.595

	S1	C2	H3	H4
S1		1.6004	2.3633	2.3633
C2	1.6004		1.0870	1.0870
H3	2.3633	1.0870		1.8443
H4	2.3633	1.0870	1.8443

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
S1	C2	H3	121.968		S1	C2	H4	121.968
H3	C2	H4	116.064

All results from a given calculation for H₂CS (Thioformaldehyde)

using model chemistry: wB97X-D/aug-cc-pVQZ

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	0.311
2	C	-0.781
3	H	0.235
4	H	0.235

	x	y	z	Total
	0.000	0.000	-1.827	1.827
CHELPG
AIM
ESP

<r²>	30.318
(<r²>)^1/2	5.506

All results from a given calculation for H2CS (Thioformaldehyde)

using model chemistry: wB97X-D/aug-cc-pVQZ

States and conformations

All results from a given calculation for H₂CS (Thioformaldehyde)