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	hartrees
Energy at 0K	-437.467325
Energy at 298.15K	-437.468689
HF Energy	-437.467325
Nuclear repulsion energy	44.281468

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2977	2966	41.29
2	A₁	1459	1453	8.08
3	A₁	1036	1032	12.96
4	B₁	992	988	52.73
5	B₂	3057	3046	15.59
6	B₂	987	984	11.66

Atom	y (Å)	z (Å)
S1	0.000	0.592
C2	0.000	-1.038
H3	0.929	-1.622
H4	-0.929	-1.622

	S1	C2	H3	H4
S1		1.6306	2.4011	2.4011
C2	1.6306		1.0969	1.0969
H3	2.4011	1.0969		1.8577
H4	2.4011	1.0969	1.8577

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
S1	C2	H3	122.140		S1	C2	H4	122.140
H3	C2	H4	115.720

All results from a given calculation for H₂CS (Thioformaldehyde)

using model chemistry: BLYP/6-311G**

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	0.004
2	C	-0.309
3	H	0.153
4	H	0.153

	x	y	z	Total
	0.000	0.000	-1.741	1.741
CHELPG
AIM
ESP

<r²>	31.292
(<r²>)^1/2	5.594

All results from a given calculation for H2CS (Thioformaldehyde)

using model chemistry: BLYP/6-311G**

States and conformations

All results from a given calculation for H₂CS (Thioformaldehyde)