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	hartrees
Energy at 0K	-437.402545
Energy at 298.15K	-437.403927
HF Energy	-437.402545
Nuclear repulsion energy	44.852837

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3076	2957	27.87
2	A₁	1485	1427	7.25
3	A₁	1107	1064	15.64
4	B₁	1032	992	38.20
5	B₂	3165	3043	5.61
6	B₂	995	957	3.39

Atom	y (Å)	z (Å)
S1	0.000	0.584
C2	0.000	-1.022
H3	0.924	-1.605
H4	-0.924	-1.605

	S1	C2	H3	H4
S1		1.6063	2.3761	2.3761
C2	1.6063		1.0923	1.0923
H3	2.3761	1.0923		1.8477
H4	2.3761	1.0923	1.8477

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
S1	C2	H3	122.248		S1	C2	H4	122.248
H3	C2	H4	115.503

All results from a given calculation for H₂CS (Thioformaldehyde)

using model chemistry: B3PW91/6-31G(2df,p)

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	-0.133
2	C	-0.226
3	H	0.180
4	H	0.180

	x	y	z	Total
	0.000	0.000	-1.842	1.842
CHELPG
AIM
ESP

<r²>	30.278
(<r²>)^1/2	5.503

All results from a given calculation for H2CS (Thioformaldehyde)

using model chemistry: B3PW91/6-31G(2df,p)

States and conformations

All results from a given calculation for H₂CS (Thioformaldehyde)