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	hartrees
Energy at 0K	-436.553169
Energy at 298.15K
HF Energy	-436.553169
Nuclear repulsion energy	45.371999

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	3240	2937	27.68	123.78	0.12	0.22
2	A₁	1623	1471	3.74	1.65	0.68	0.81
3	A₁	1176	1066	34.09	52.79	0.24	0.38
4	B₁	1157	1049	42.15	1.62	0.75	0.86
5	B₂	3326	3014	4.16	94.07	0.75	0.86
6	B₂	1077	976	1.71	0.69	0.75	0.86

Atom	y (Å)	z (Å)
S1	0.000	0.577
C2	0.000	-1.012
H3	0.912	-1.585
H4	-0.912	-1.585

	S1	C2	H3	H4
S1		1.5890	2.3467	2.3467
C2	1.5890		1.0773	1.0773
H3	2.3467	1.0773		1.8243
H4	2.3467	1.0773	1.8243

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
S1	C2	H3	122.143		S1	C2	H4	122.143
H3	C2	H4	115.713

All results from a given calculation for H₂CS (Thioformaldehyde)

using model chemistry: HF/Def2TZVPP

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	-0.114
2	C	-0.066
3	H	0.090
4	H	0.090

	x	y	z	Total
	0.000	0.000	-2.066	2.066
CHELPG
AIM
ESP

<r²>	30.143
(<r²>)^1/2	5.490

All results from a given calculation for H2CS (Thioformaldehyde)

using model chemistry: HF/Def2TZVPP

States and conformations

All results from a given calculation for H₂CS (Thioformaldehyde)