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	hartrees
Energy at 0K	-114.414890
Energy at 298.15K	-114.416327
HF Energy	-114.414890
Nuclear repulsion energy	31.106832

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	2792	2761	72.68	201.95	0.16	0.28
2	A₁	1771	1751	101.85	5.93	0.51	0.68
3	A₁	1496	1479	8.14	13.24	0.62	0.76
4	B₁	1164	1151	3.83	3.18	0.75	0.86
5	B₂	2838	2806	168.80	116.95	0.75	0.86
6	B₂	1231	1218	7.09	7.24	0.75	0.86

Atom	y (Å)	z (Å)
O1	0.000	0.679
C2	0.000	-0.530
H3	0.947	-1.126
H4	-0.947	-1.126

	O1	C2	H3	H4
O1		1.2096	2.0385	2.0385
C2	1.2096		1.1189	1.1189
H3	2.0385	1.1189		1.8948
H4	2.0385	1.1189	1.8948

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O1	C2	H3	122.144		O1	C2	H4	122.144
H3	C2	H4	115.711

All results from a given calculation for H₂CO (Formaldehyde)

using model chemistry: PBEPBE/TZVP

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	-0.221
2	C	0.059
3	H	0.081
4	H	0.081

	x	y	z	Total
	0.000	0.000	-2.214	2.214
CHELPG
AIM
ESP

<r²>	17.185
(<r²>)^1/2	4.146

All results from a given calculation for H2CO (Formaldehyde)

using model chemistry: PBEPBE/TZVP

States and conformations

All results from a given calculation for H₂CO (Formaldehyde)