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	hartrees
Energy at 0K	-114.417149
Energy at 298.15K	-114.418582
HF Energy	-114.417149
Nuclear repulsion energy	31.120832

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	2793	2762	80.72	207.09	0.10	0.19
2	A₁	1759	1740	103.39	7.88	0.36	0.53
3	A₁	1478	1462	9.36	8.95	0.42	0.59
4	B₁	1147	1135	6.35	0.52	0.75	0.86
5	B₂	2837	2805	138.83	135.14	0.75	0.86
6	B₂	1217	1204	8.76	1.31	0.75	0.86

Atom	y (Å)	z (Å)
O1	0.000	0.679
C2	0.000	-0.531
H3	0.947	-1.123
H4	-0.947	-1.123

	O1	C2	H3	H4
O1		1.2096	2.0359	2.0359
C2	1.2096		1.1174	1.1174
H3	2.0359	1.1174		1.8949
H4	2.0359	1.1174	1.8949

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O1	C2	H3	122.016		O1	C2	H4	122.016
H3	C2	H4	115.969

All results from a given calculation for H₂CO (Formaldehyde)

using model chemistry: PBEPBEultrafine/aug-cc-pVTZ

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	-0.373
2	C	-0.228
3	H	0.300
4	H	0.300

	x	y	z	Total
	0.000	0.000	-2.233	2.233
CHELPG
AIM
ESP

<r²>	17.206
(<r²>)^1/2	4.148

All results from a given calculation for H2CO (Formaldehyde)

using model chemistry: PBEPBEultrafine/aug-cc-pVTZ

States and conformations

All results from a given calculation for H₂CO (Formaldehyde)