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	hartrees
Energy at 0K	-437.510874
Energy at 298.15K
HF Energy	-437.510874
Nuclear repulsion energy	44.903620

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	32.86	157.24	0.11	0.21
2	A₁	1497	1497	4.36	5.47	0.59	0.75
3	A₁	1093	1093	13.38	28.79	0.23	0.37
4	B₁	1032	1032	41.01	0.08	0.75	0.86
5	B₂	3142	3142	7.90	114.14	0.75	0.86
6	B₂	1006	1006	2.84	1.35	0.75	0.86

Atom	y (Å)	z (Å)
S1	0.000	0.584
C2	0.000	-1.022
H3	0.920	-1.602
H4	-0.920	-1.602

	S1	C2	H3	H4
S1		1.6056	2.3718	2.3718
C2	1.6056		1.0880	1.0880
H3	2.3718	1.0880		1.8405
H4	2.3718	1.0880	1.8405

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
S1	C2	H3	122.237		S1	C2	H4	122.237
H3	C2	H4	115.526

All results from a given calculation for H₂CS (Thioformaldehyde)

using model chemistry: B3LYPultrafine/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	-0.135
2	C	-0.132
3	H	0.134
4	H	0.134

	x	y	z	Total
	0.000	0.000	-1.698	1.698
CHELPG
AIM
ESP

<r²>	30.499
(<r²>)^1/2	5.523

All results from a given calculation for H2CS (Thioformaldehyde)

using model chemistry: B3LYPultrafine/Def2TZVPP

States and conformations

All results from a given calculation for H₂CS (Thioformaldehyde)