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	hartrees
Energy at 0K	-114.411659
Energy at 298.15K	-114.413106
HF Energy	-114.411659
Nuclear repulsion energy	31.424331

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	2895	2781	63.86	175.94	0.17	0.29
2	A₁	1859	1785	114.11	5.22	0.57	0.73
3	A₁	1541	1480	7.45	12.58	0.63	0.77
4	B₁	1209	1161	2.75	1.35	0.75	0.86
5	B₂	2950	2833	160.32	96.01	0.75	0.86
6	B₂	1273	1223	14.38	4.64	0.75	0.86

Atom	y (Å)	z (Å)
O1	0.000	0.672
C2	0.000	-0.524
H3	0.939	-1.116
H4	-0.939	-1.116

	O1	C2	H3	H4
O1		1.1964	2.0197	2.0197
C2	1.1964		1.1100	1.1100
H3	2.0197	1.1100		1.8786
H4	2.0197	1.1100	1.8786

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O1	C2	H3	122.202		O1	C2	H4	122.202
H3	C2	H4	115.595

All results from a given calculation for H₂CO (Formaldehyde)

using model chemistry: HSEh1PBE/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	-0.255
2	C	0.087
3	H	0.084
4	H	0.084

	x	y	z	Total
	0.000	0.000	-2.254	2.254
CHELPG
AIM
ESP

<r²>	16.799
(<r²>)^1/2	4.099

All results from a given calculation for H2CO (Formaldehyde)

using model chemistry: HSEh1PBE/6-311G**

States and conformations

All results from a given calculation for H₂CO (Formaldehyde)