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	hartrees
Energy at 0K	-114.479821
Energy at 298.15K	-114.481267
HF Energy	-114.479821
Nuclear repulsion energy	31.287902

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	2910	2910	72.94	175.60	0.10	0.19
2	A₁	1844	1844	116.25	10.03	0.22	0.36
3	A₁	1522	1522	11.03	7.72	0.40	0.57
4	B₁	1208	1208	6.43	0.16	0.75	0.86
5	B₂	2985	2985	108.30	95.54	0.75	0.86
6	B₂	1257	1257	12.00	0.87	0.75	0.86

Atom	y (Å)	z (Å)
O1	0.000	0.675
C2	0.000	-0.528
H3	0.945	-1.115
H4	-0.945	-1.115

	O1	C2	H3	H4
O1		1.2029	2.0238	2.0238
C2	1.2029		1.1124	1.1124
H3	2.0238	1.1124		1.8902
H4	2.0238	1.1124	1.8902

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O1	C2	H3	121.830		O1	C2	H4	121.830
H3	C2	H4	116.339

All results from a given calculation for H₂CO (Formaldehyde)

using model chemistry: wB97X-D/daug-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	-0.340
2	C	0.968
3	H	-0.314
4	H	-0.314

	x	y	z	Total
	0.000	0.000	-2.451	2.451
CHELPG
AIM
ESP

<r²>	16.974
(<r²>)^1/2	4.120

All results from a given calculation for H2CO (Formaldehyde)

using model chemistry: wB97X-D/daug-cc-pVDZ

States and conformations

All results from a given calculation for H₂CO (Formaldehyde)