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	hartrees
Energy at 0K	-114.468075
Energy at 298.15K	-114.469520
HF Energy	-114.335748
Nuclear repulsion energy	31.309813

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	2930	2815	71.69	182.80	0.10	0.18
2	A₁	1782	1713	93.35	7.92	0.23	0.37
3	A₁	1538	1478	12.81	10.35	0.36	0.52
4	B₁	1201	1154	6.08	0.22	0.75	0.86
5	B₂	2991	2875	106.08	103.24	0.75	0.86
6	B₂	1267	1218	10.59	1.08	0.75	0.86

Atom	y (Å)	z (Å)
O1	0.000	0.676
C2	0.000	-0.530
H3	0.936	-1.112
H4	-0.936	-1.112

	O1	C2	H3	H4
O1		1.2055	2.0178	2.0178
C2	1.2055		1.1022	1.1022
H3	2.0178	1.1022		1.8721
H4	2.0178	1.1022	1.8721

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O1	C2	H3	121.869		O1	C2	H4	121.869
H3	C2	H4	116.261

All results from a given calculation for H₂CO (Formaldehyde)

using model chemistry: B2PLYP/aug-cc-pVTZ

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	-0.413
2	C	-0.382
3	H	0.398
4	H	0.398

	x	y	z	Total
	0.000	0.000	-2.406	2.406
CHELPG
AIM
ESP

<r²>	17.028
(<r²>)^1/2	4.127

All results from a given calculation for H2CO (Formaldehyde)

using model chemistry: B2PLYP/aug-cc-pVTZ

States and conformations

All results from a given calculation for H₂CO (Formaldehyde)