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	hartrees
Energy at 0K	-437.496843
Energy at 298.15K
HF Energy	-437.496843
Nuclear repulsion energy	45.056922

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	3084	3084	30.55	150.81	0.11	0.20
2	A₁	1497	1497	3.81	4.47	0.64	0.78
3	A₁	1119	1119	14.45	30.06	0.22	0.37
4	B₁	1039	1039	41.33	0.09	0.75	0.86
5	B₂	3169	3169	6.13	107.65	0.75	0.86
6	B₂	1006	1006	2.79	1.18	0.75	0.86

Atom	y (Å)	z (Å)
S1	0.000	0.581
C2	0.000	-1.018
H3	0.921	-1.597
H4	-0.921	-1.597

	S1	C2	H3	H4
S1		1.5989	2.3650	2.3650
C2	1.5989		1.0881	1.0881
H3	2.3650	1.0881		1.8420
H4	2.3650	1.0881	1.8420

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
S1	C2	H3	122.175		S1	C2	H4	122.175
H3	C2	H4	115.650

All results from a given calculation for H₂CS (Thioformaldehyde)

using model chemistry: mPW1PW91/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	-0.136
2	C	-0.103
3	H	0.119
4	H	0.119

	x	y	z	Total
	0.000	0.000	-1.731	1.731
CHELPG
AIM
ESP

<r²>	30.248
(<r²>)^1/2	5.500

All results from a given calculation for H2CS (Thioformaldehyde)

using model chemistry: mPW1PW91/Def2TZVPP

States and conformations

All results from a given calculation for H₂CS (Thioformaldehyde)