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	hartrees
Energy at 0K	-114.493968
Energy at 298.15K
HF Energy	-114.334600
Nuclear repulsion energy	31.354325

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	2922	2922	67.26	180.79	0.14	0.24
2	A₁	1797	1797	86.31	4.07	0.52	0.69
3	A₁	1546	1546	10.37	12.52	0.51	0.68
4	B₁	1209	1209	3.43	0.93	0.75	0.86
5	B₂	2982	2982	130.57	96.33	0.75	0.86
6	B₂	1276	1276	11.59	3.66	0.75	0.86

Atom	y (Å)	z (Å)
O1	0.000	0.675
C2	0.000	-0.528
H3	0.935	-1.113
H4	-0.935	-1.113

	O1	C2	H3	H4
O1		1.2030	2.0172	2.0172
C2	1.2030		1.1025	1.1025
H3	2.0172	1.1025		1.8697
H4	2.0172	1.1025	1.8697

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O1	C2	H3	122.016		O1	C2	H4	122.016
H3	C2	H4	115.967

All results from a given calculation for H₂CO (Formaldehyde)

using model chemistry: B2PLYP=FULLultrafine/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	-0.313
2	C	0.233
3	H	0.040
4	H	0.040

<r²>	16.870
(<r²>)^1/2	4.107

All results from a given calculation for H2CO (Formaldehyde)

using model chemistry: B2PLYP=FULLultrafine/cc-pCVTZ

States and conformations

All results from a given calculation for H₂CO (Formaldehyde)