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	hartrees
Energy at 0K	-437.471419
Energy at 298.15K
HF Energy	-437.471419
Nuclear repulsion energy	45.080747

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	3091	2952	27.00	144.70	0.11	0.20
2	A₁	1505	1437	3.05	3.91	0.68	0.81
3	A₁	1119	1069	14.89	32.94	0.23	0.37
4	B₁	1049	1002	41.94	0.19	0.75	0.86
5	B₂	3179	3036	4.72	101.96	0.75	0.86
6	B₂	1013	967	2.50	1.01	0.75	0.86

Atom	y (Å)	z (Å)
S1	0.000	0.581
C2	0.000	-1.017
H3	0.922	-1.595
H4	-0.922	-1.595

	S1	C2	H3	H4
S1		1.5980	2.3632	2.3632
C2	1.5980		1.0879	1.0879
H3	2.3632	1.0879		1.8430
H4	2.3632	1.0879	1.8430

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
S1	C2	H3	122.103		S1	C2	H4	122.103
H3	C2	H4	115.794

All results from a given calculation for H₂CS (Thioformaldehyde)

using model chemistry: wB97X-D/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	-0.139
2	C	-0.109
3	H	0.124
4	H	0.124

	x	y	z	Total
	0.000	0.000	-1.784	1.784
CHELPG
AIM
ESP

<r²>	30.221
(<r²>)^1/2	5.497

All results from a given calculation for H2CS (Thioformaldehyde)

using model chemistry: wB97X-D/Def2TZVPP

States and conformations

All results from a given calculation for H₂CS (Thioformaldehyde)