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	hartrees
Energy at 0K	-114.469564
Energy at 298.15K	-114.471010
HF Energy	-114.469564
Nuclear repulsion energy	31.285332

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	2940	2800	63.92	157.81	0.17	0.29
2	A₁	1861	1772	120.55	9.21	0.28	0.44
3	A₁	1547	1473	6.41	12.92	0.56	0.72
4	B₁	1208	1150	4.94	1.18	0.75	0.86
5	B₂	3009	2866	119.57	102.35	0.75	0.86
6	B₂	1274	1213	10.83	3.08	0.75	0.86

Atom	y (Å)	z (Å)
O1	0.000	0.675
C2	0.000	-0.530
H3	0.941	-1.113
H4	-0.941	-1.113

	O1	C2	H3	H4
O1		1.2052	2.0207	2.0207
C2	1.2052		1.1068	1.1068
H3	2.0207	1.1068		1.8811
H4	2.0207	1.1068	1.8811

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O1	C2	H3	121.808		O1	C2	H4	121.808
H3	C2	H4	116.385

All results from a given calculation for H₂CO (Formaldehyde)

using model chemistry: wB97X-D/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	-0.318
2	C	0.077
3	H	0.121
4	H	0.121

	x	y	z	Total
	0.000	0.000	-2.582	2.582
CHELPG
AIM
ESP

<r²>	16.976
(<r²>)^1/2	4.120

All results from a given calculation for H2CO (Formaldehyde)

using model chemistry: wB97X-D/6-31+G**

States and conformations

All results from a given calculation for H₂CO (Formaldehyde)