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	hartrees
Energy at 0K	-436.559244
Energy at 298.15K	-436.560670
HF Energy	-436.559244
Nuclear repulsion energy	45.358545

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3236	3236	28.60
2	A₁	1621	1621	3.79
3	A₁	1176	1176	34.82
4	B₁	1156	1156	42.22
5	B₂	3322	3322	4.50
6	B₂	1076	1076	1.44

Atom	y (Å)	z (Å)
S1	0.000	0.578
C2	0.000	-1.012
H3	0.912	-1.585
H4	-0.912	-1.585

	S1	C2	H3	H4
S1		1.5895	2.3471	2.3471
C2	1.5895		1.0774	1.0774
H3	2.3471	1.0774		1.8248
H4	2.3471	1.0774	1.8248

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
S1	C2	H3	122.130		S1	C2	H4	122.130
H3	C2	H4	115.741

All results from a given calculation for H₂CS (Thioformaldehyde)

using model chemistry: ROHF/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	-0.126
2	C	-0.189
3	H	0.158
4	H	0.158

	x	y	z	Total
	0.000	0.000	-2.065	2.065
CHELPG
AIM
ESP

<r²>	30.130
(<r²>)^1/2	5.489

All results from a given calculation for H2CS (Thioformaldehyde)

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

States and conformations

All results from a given calculation for H₂CS (Thioformaldehyde)