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	hartrees
Energy at 0K	-437.500968
Energy at 298.15K
HF Energy	-437.500968
Nuclear repulsion energy	44.956084

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	3086	3086	30.16	144.96	0.10	0.19
2	A₁	1496	1496	3.08	4.13	0.70	0.83
3	A₁	1113	1113	14.54	38.22	0.12	0.21
4	B₁	1038	1038	41.86	0.09	0.75	0.86
5	B₂	3170	3170	3.45	112.81	0.75	0.86
6	B₂	1005	1005	2.26	0.11	0.75	0.86

Atom	y (Å)	z (Å)
S1	0.000	0.583
C2	0.000	-1.021
H3	0.922	-1.598
H4	-0.922	-1.598

	S1	C2	H3	H4
S1		1.6037	2.3677	2.3677
C2	1.6037		1.0875	1.0875
H3	2.3677	1.0875		1.8434
H4	2.3677	1.0875	1.8434

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
S1	C2	H3	122.059		S1	C2	H4	122.059
H3	C2	H4	115.883

All results from a given calculation for H₂CS (Thioformaldehyde)

using model chemistry: mPW1PW91/daug-cc-pVTZ

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	-0.560
2	C	-0.706
3	H	0.633
4	H	0.633

	x	y	z	Total
	0.000	0.000	-1.788	1.788
CHELPG
AIM
ESP

<r²>	30.415
(<r²>)^1/2	5.515

All results from a given calculation for H2CS (Thioformaldehyde)

using model chemistry: mPW1PW91/daug-cc-pVTZ

States and conformations

All results from a given calculation for H₂CS (Thioformaldehyde)