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	hartrees
Energy at 0K	-114.377495
Energy at 298.15K	-114.378939
HF Energy	-114.377495
Nuclear repulsion energy	31.279426

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	2938	2806	62.28	158.96	0.17	0.29
2	A₁	1857	1774	117.28	9.25	0.29	0.45
3	A₁	1540	1471	6.23	12.62	0.57	0.73
4	B₁	1201	1148	5.31	1.26	0.75	0.86
5	B₂	3005	2871	120.89	104.33	0.75	0.86
6	B₂	1266	1209	9.66	3.27	0.75	0.86

Atom	y (Å)	z (Å)
O1	0.000	0.676
C2	0.000	-0.529
H3	0.941	-1.115
H4	-0.941	-1.115

	O1	C2	H3	H4
O1		1.2047	2.0228	2.0228
C2	1.2047		1.1085	1.1085
H3	2.0228	1.1085		1.8821
H4	2.0228	1.1085	1.8821

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O1	C2	H3	121.901		O1	C2	H4	121.901
H3	C2	H4	116.198

All results from a given calculation for H₂CO (Formaldehyde)

using model chemistry: PBE1PBE/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	-0.306
2	C	0.053
3	H	0.126
4	H	0.126

	x	y	z	Total
	0.000	0.000	-2.502	2.502
CHELPG
AIM
ESP

<r²>	17.012
(<r²>)^1/2	4.125

All results from a given calculation for H2CO (Formaldehyde)

using model chemistry: PBE1PBE/6-31+G**

States and conformations

All results from a given calculation for H₂CO (Formaldehyde)