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	hartrees
Energy at 0K	-114.520557
Energy at 298.15K	-114.522000
HF Energy	-114.520557
Nuclear repulsion energy	31.191219

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	2891	2805	71.51	185.20	0.11	0.20
2	A₁	1802	1749	108.81	8.96	0.33	0.49
3	A₁	1513	1469	12.71	8.49	0.43	0.60
4	B₁	1194	1159	6.12	0.23	0.75	0.86
5	B₂	2959	2871	115.88	109.14	0.75	0.86
6	B₂	1246	1209	11.14	1.04	0.75	0.86

Atom	y (Å)	z (Å)
O1	0.000	0.677
C2	0.000	-0.530
H3	0.946	-1.118
H4	-0.946	-1.118

	O1	C2	H3	H4
O1		1.2073	2.0292	2.0292
C2	1.2073		1.1140	1.1140
H3	2.0292	1.1140		1.8927
H4	2.0292	1.1140	1.8927

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O1	C2	H3	121.841		O1	C2	H4	121.841
H3	C2	H4	116.319

All results from a given calculation for H₂CO (Formaldehyde)

using model chemistry: B3LYP/aug-cc-pVDZ

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	-0.349
2	C	0.873
3	H	-0.262
4	H	-0.262

<r²>	17.141
(<r²>)^1/2	4.140

All results from a given calculation for H2CO (Formaldehyde)

using model chemistry: B3LYP/aug-cc-pVDZ

States and conformations

All results from a given calculation for H₂CO (Formaldehyde)