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	hartrees
Energy at 0K	-437.456002
Energy at 298.15K	-437.457396
HF Energy	-437.456002
Nuclear repulsion energy	45.113955

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3095	3095	23.12
2	A₁	1504	1504	3.76
3	A₁	1140	1140	13.02
4	B₁	1053	1053	43.88
5	B₂	3180	3180	3.70
6	B₂	1005	1005	2.09

Atom	y (Å)	z (Å)
S1	0.000	0.580
C2	0.000	-1.016
H3	0.921	-1.594
H4	-0.921	-1.594

	S1	C2	H3	H4
S1		1.5967	2.3614	2.3614
C2	1.5967		1.0874	1.0874
H3	2.3614	1.0874		1.8425
H4	2.3614	1.0874	1.8425

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
S1	C2	H3	122.087		S1	C2	H4	122.087
H3	C2	H4	115.826

All results from a given calculation for H₂CS (Thioformaldehyde)

using model chemistry: M06-2X/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	-0.066
2	C	-0.221
3	H	0.144
4	H	0.144

	x	y	z	Total
	0.000	0.000	-1.664	1.664
CHELPG
AIM
ESP

<r²>	30.278
(<r²>)^1/2	5.503

All results from a given calculation for H2CS (Thioformaldehyde)

using model chemistry: M06-2X/cc-pV(T+d)Z

States and conformations

All results from a given calculation for H₂CS (Thioformaldehyde)