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	hartrees
Energy at 0K	-114.549419
Energy at 298.15K
HF Energy	-114.549419
Nuclear repulsion energy	31.326464

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	2874	2874	69.13	184.44	0.14	0.24
2	A₁	1808	1808	100.51	4.95	0.55	0.71
3	A₁	1538	1538	9.93	11.78	0.53	0.70
4	B₁	1199	1199	3.71	0.95	0.75	0.86
5	B₂	2926	2926	148.06	100.58	0.75	0.86
6	B₂	1265	1265	12.31	3.77	0.75	0.86

Atom	y (Å)	z (Å)
O1	0.000	0.675
C2	0.000	-0.528
H3	0.939	-1.116
H4	-0.939	-1.116

	O1	C2	H3	H4
O1		1.2024	2.0218	2.0218
C2	1.2024		1.1080	1.1080
H3	2.0218	1.1080		1.8778
H4	2.0218	1.1080	1.8778

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O1	C2	H3	122.068		O1	C2	H4	122.068
H3	C2	H4	115.864

All results from a given calculation for H₂CO (Formaldehyde)

using model chemistry: TPSSh/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	O	-0.270
2	C	0.191
3	H	0.040
4	H	0.040

	x	y	z	Total
	0.000	0.000	-2.237	2.237
CHELPG
AIM
ESP

<r²>	16.885
(<r²>)^1/2	4.109

All results from a given calculation for H2CO (Formaldehyde)

using model chemistry: TPSSh/cc-pCVTZ

States and conformations

All results from a given calculation for H₂CO (Formaldehyde)