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	hartrees
Energy at 0K	-114.425855
Energy at 298.15K	-114.427288
HF Energy	-114.425855
Nuclear repulsion energy	31.153700

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2790	2790	81.78
2	A₁	1763	1763	104.49
3	A₁	1480	1480	9.38
4	B₁	1149	1149	6.21
5	B₂	2834	2834	140.72
6	B₂	1221	1221	8.98

Atom	y (Å)	z (Å)
O1	0.000	0.678
C2	0.000	-0.530
H3	0.947	-1.123
H4	-0.947	-1.123

	O1	C2	H3	H4
O1		1.2077	2.0348	2.0348
C2	1.2077		1.1176	1.1176
H3	2.0348	1.1176		1.8946
H4	2.0348	1.1176	1.8946

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O1	C2	H3	122.049		O1	C2	H4	122.049
H3	C2	H4	115.902

All results from a given calculation for H₂CO (Formaldehyde)

using model chemistry: PBEPBE/aug-cc-pVQZ

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	-0.505
2	C	-0.400
3	H	0.452
4	H	0.452

	x	y	z	Total
	0.000	0.000	-2.224	2.224
CHELPG
AIM
ESP

<r²>	17.185
(<r²>)^1/2	4.145

All results from a given calculation for H2CO (Formaldehyde)

using model chemistry: PBEPBE/aug-cc-pVQZ

States and conformations

All results from a given calculation for H₂CO (Formaldehyde)