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	hartrees
Energy at 0K	-114.378399
Energy at 298.15K	-114.379831
HF Energy	-114.378399
Nuclear repulsion energy	30.943240

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	2824	2792	71.96	173.17	0.17	0.29
2	A₁	1767	1747	105.99	8.06	0.32	0.49
3	A₁	1489	1472	5.48	13.28	0.59	0.74
4	B₁	1146	1133	6.18	1.72	0.75	0.86
5	B₂	2877	2844	148.23	130.67	0.75	0.86
6	B₂	1220	1206	6.87	3.90	0.75	0.86

Atom	y (Å)	z (Å)
O1	0.000	0.683
C2	0.000	-0.535
H3	0.950	-1.128
H4	-0.950	-1.128

	O1	C2	H3	H4
O1		1.2182	2.0447	2.0447
C2	1.2182		1.1193	1.1193
H3	2.0447	1.1193		1.8991
H4	2.0447	1.1193	1.8991

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O1	C2	H3	121.970		O1	C2	H4	121.970
H3	C2	H4	116.059

All results from a given calculation for H₂CO (Formaldehyde)

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

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	-0.277
2	C	0.024
3	H	0.126
4	H	0.126

	x	y	z	Total
	0.000	0.000	-2.359	2.359
CHELPG
AIM
ESP

<r²>	17.317
(<r²>)^1/2	4.161

All results from a given calculation for H2CO (Formaldehyde)

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

States and conformations

All results from a given calculation for H₂CO (Formaldehyde)