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	hartrees
Energy at 0K	-114.369839
Energy at 298.15K	-114.371273
HF Energy	-114.369839
Nuclear repulsion energy	30.975596

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	2805	2767	61.37	164.24	0.16	0.28
2	A₁	1796	1772	87.22	2.70	0.43	0.60
3	A₁	1508	1488	5.30	15.41	0.65	0.79
4	B₁	1154	1138	2.19	2.64	0.75	0.86
5	B₂	2847	2808	183.81	86.88	0.75	0.86
6	B₂	1233	1216	9.09	8.73	0.75	0.86

Atom	y (Å)	z (Å)
O1	0.000	0.683
C2	0.000	-0.532
H3	0.946	-1.136
H4	-0.946	-1.136

	O1	C2	H3	H4
O1		1.2150	2.0498	2.0498
C2	1.2150		1.1219	1.1219
H3	2.0498	1.1219		1.8915
H4	2.0498	1.1219	1.8915

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O1	C2	H3	122.545		O1	C2	H4	122.545
H3	C2	H4	114.911

All results from a given calculation for H₂CO (Formaldehyde)

using model chemistry: PBEPBEultrafine/6-31G**

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	-0.308
2	C	0.129
3	H	0.089
4	H	0.089

	x	y	z	Total
	0.000	0.000	-2.019	2.019
CHELPG
AIM
ESP

<r²>	17.072
(<r²>)^1/2	4.132

All results from a given calculation for H2CO (Formaldehyde)

using model chemistry: PBEPBEultrafine/6-31G**

States and conformations

All results from a given calculation for H₂CO (Formaldehyde)