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	hartrees
Energy at 0K	-114.533370
Energy at 298.15K	-114.534814
HF Energy	-114.533370
Nuclear repulsion energy	31.364809

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	2881	2784	69.54	172.71	0.18	0.31
2	A₁	1834	1772	113.72	4.27	0.59	0.74
3	A₁	1549	1497	8.14	14.12	0.64	0.78
4	B₁	1193	1152	2.32	1.74	0.75	0.86
5	B₂	2932	2833	182.35	99.48	0.75	0.86
6	B₂	1281	1238	14.95	5.31	0.75	0.86

Atom	y (Å)	z (Å)
O1	0.000	0.674
C2	0.000	-0.526
H3	0.940	-1.117
H4	-0.940	-1.117

	O1	C2	H3	H4
O1		1.1996	2.0218	2.0218
C2	1.1996		1.1098	1.1098
H3	2.0218	1.1098		1.8793
H4	2.0218	1.1098	1.8793

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O1	C2	H3	122.146		O1	C2	H4	122.146
H3	C2	H4	115.707

All results from a given calculation for H₂CO (Formaldehyde)

using model chemistry: B3LYPultrafine/6-311G*

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	-0.251
2	C	-0.073
3	H	0.162
4	H	0.162

	x	y	z	Total
	0.000	0.000	-2.241	2.241
CHELPG
AIM
ESP

<r²>	16.887
(<r²>)^1/2	4.109

All results from a given calculation for H2CO (Formaldehyde)

using model chemistry: B3LYPultrafine/6-311G*

States and conformations

All results from a given calculation for H₂CO (Formaldehyde)