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	hartrees
Energy at 0K	-437.519082
Energy at 298.15K	-437.520468
HF Energy	-437.519082
Nuclear repulsion energy	45.069554

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3074	2942	33.14
2	A₁	1488	1425	4.41
3	A₁	1114	1067	13.99
4	B₁	1029	985	39.85
5	B₂	3158	3023	7.77
6	B₂	999	957	2.40

Atom	y (Å)	z (Å)
S1	0.000	0.581
C2	0.000	-1.018
H3	0.920	-1.596
H4	-0.920	-1.596

	S1	C2	H3	H4
S1		1.5987	2.3637	2.3637
C2	1.5987		1.0872	1.0872
H3	2.3637	1.0872		1.8410
H4	2.3637	1.0872	1.8410

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
S1	C2	H3	122.145		S1	C2	H4	122.145
H3	C2	H4	115.710

All results from a given calculation for H₂CS (Thioformaldehyde)

using model chemistry: B1B95/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	-0.079
2	C	-0.223
3	H	0.151
4	H	0.151

	x	y	z	Total
	0.000	0.000	-1.687	1.687
CHELPG
AIM
ESP

<r²>	30.220
(<r²>)^1/2	5.497

All results from a given calculation for H2CS (Thioformaldehyde)

using model chemistry: B1B95/cc-pV(T+d)Z

States and conformations

All results from a given calculation for H₂CS (Thioformaldehyde)