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	hartrees
Energy at 0K	-437.477011
Energy at 298.15K
HF Energy	-437.477011
Nuclear repulsion energy	44.644125

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	3089	3089	30.83	148.46	0.11	0.19
2	A₁	1482	1482	3.43	3.96	0.66	0.80
3	A₁	1110	1110	14.20	39.44	0.12	0.21
4	B₁	1039	1039	41.97	0.07	0.75	0.86
5	B₂	3189	3189	3.92	114.46	0.75	0.86
6	B₂	1000	1000	2.22	0.19	0.75	0.86

Atom	y (Å)	z (Å)
S1	0.000	0.587
C2	0.000	-1.028
H3	0.930	-1.607
H4	-0.930	-1.607

	S1	C2	H3	H4
S1		1.6150	2.3826	2.3826
C2	1.6150		1.0954	1.0954
H3	2.3826	1.0954		1.8604
H4	2.3826	1.0954	1.8604

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
S1	C2	H3	121.878		S1	C2	H4	121.878
H3	C2	H4	116.243

All results from a given calculation for H₂CS (Thioformaldehyde)

using model chemistry: mPW1PW91/daug-cc-pVDZ

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	0.231
2	C	0.502
3	H	-0.366
4	H	-0.366

	x	y	z	Total
	0.000	0.000	-1.844	1.844
CHELPG
AIM
ESP

<r²>	30.711
(<r²>)^1/2	5.542

All results from a given calculation for H2CS (Thioformaldehyde)

using model chemistry: mPW1PW91/daug-cc-pVDZ

States and conformations

All results from a given calculation for H₂CS (Thioformaldehyde)