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	hartrees
Energy at 0K	-437.460345
Energy at 298.15K
HF Energy	-437.460345
Nuclear repulsion energy	45.093330

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3094	3094	23.10
2	A₁	1503	1503	4.07
3	A₁	1131	1131	14.25
4	B₁	1042	1042	43.87
5	B₂	3180	3180	3.68
6	B₂	1005	1005	2.24

Atom	y (Å)	z (Å)
S1	0.000	0.581
C2	0.000	-1.017
H3	0.921	-1.594
H4	-0.921	-1.594

	S1	C2	H3	H4
S1		1.5977	2.3621	2.3621
C2	1.5977		1.0872	1.0872
H3	2.3621	1.0872		1.8424
H4	2.3621	1.0872	1.8424

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
S1	C2	H3	122.079		S1	C2	H4	122.079
H3	C2	H4	115.842

All results from a given calculation for H₂CS (Thioformaldehyde)

using model chemistry: M06-2X/cc-pCVTZ

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	-0.089
2	C	-0.123
3	H	0.106
4	H	0.106

	x	y	z	Total
	0.000	0.000	-1.668	1.668
CHELPG
AIM
ESP

<r²>	30.294
(<r²>)^1/2	5.504

All results from a given calculation for H2CS (Thioformaldehyde)

using model chemistry: M06-2X/cc-pCVTZ

States and conformations

All results from a given calculation for H₂CS (Thioformaldehyde)