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	hartrees
Energy at 0K	-437.444896
Energy at 298.15K
HF Energy	-437.444896
Nuclear repulsion energy	44.880838

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	3067	3067	31.71	148.59	0.10	0.19
2	A₁	1488	1488	3.27	4.39	0.72	0.84
3	A₁	1103	1103	13.88	37.07	0.11	0.21
4	B₁	1029	1029	41.52	0.07	0.75	0.86
5	B₂	3149	3149	4.06	116.19	0.75	0.86
6	B₂	1001	1001	2.33	0.12	0.75	0.86

Atom	y (Å)	z (Å)
S1	0.000	0.584
C2	0.000	-1.023
H3	0.923	-1.601
H4	-0.923	-1.601

	S1	C2	H3	H4
S1		1.6065	2.3717	2.3717
C2	1.6065		1.0890	1.0890
H3	2.3717	1.0890		1.8453
H4	2.3717	1.0890	1.8453

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
S1	C2	H3	122.085		S1	C2	H4	122.085
H3	C2	H4	115.831

All results from a given calculation for H₂CS (Thioformaldehyde)

using model chemistry: B3PW91/daug-cc-pVTZ

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	-0.502
2	C	-0.740
3	H	0.621
4	H	0.621

	x	y	z	Total
	0.000	0.000	-1.772	1.772
CHELPG
AIM
ESP

<r²>	30.472
(<r²>)^1/2	5.520

All results from a given calculation for H2CS (Thioformaldehyde)

using model chemistry: B3PW91/daug-cc-pVTZ

States and conformations

All results from a given calculation for H₂CS (Thioformaldehyde)