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	hartrees
Energy at 0K	-437.333259
Energy at 298.15K	-437.334644
HF Energy	-437.220784
Nuclear repulsion energy	44.839105

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3088	3088	31.18
2	A₁	1503	1503	4.03
3	A₁	1084	1084	11.05
4	B₁	1031	1031	40.01
5	B₂	3173	3173	6.91
6	B₂	1010	1010	2.37

Atom	y (Å)	z (Å)
S1	0.000	0.585
C2	0.000	-1.025
H3	0.920	-1.601
H4	-0.920	-1.601

	S1	C2	H3	H4
S1		1.6094	2.3717	2.3717
C2	1.6094		1.0860	1.0860
H3	2.3717	1.0860		1.8410
H4	2.3717	1.0860	1.8410

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
S1	C2	H3	122.053		S1	C2	H4	122.053
H3	C2	H4	115.894

All results from a given calculation for H₂CS (Thioformaldehyde)

using model chemistry: B2PLYP/cc-pV(T+d)Z

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	-0.072
2	C	-0.227
3	H	0.149
4	H	0.149

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

<r²>	30.546
(<r²>)^1/2	5.527

All results from a given calculation for H2CS (Thioformaldehyde)

using model chemistry: B2PLYP/cc-pV(T+d)Z

States and conformations

All results from a given calculation for H₂CS (Thioformaldehyde)