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	hartrees
Energy at 0K	-114.400788
Energy at 298.15K	-114.402221
HF Energy	-114.400788
Nuclear repulsion energy	30.919614

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2776	2762	76.50
2	A₁	1767	1758	102.79
3	A₁	1452	1444	7.43
4	B₁	1151	1145	5.56
5	B₂	2841	2827	131.04
6	B₂	1203	1197	9.41

Atom	y (Å)	z (Å)
O1	0.000	0.683
C2	0.000	-0.534
H3	0.958	-1.130
H4	-0.958	-1.130

	O1	C2	H3	H4
O1		1.2161	2.0501	2.0501
C2	1.2161		1.1284	1.1284
H3	2.0501	1.1284		1.9159
H4	2.0501	1.1284	1.9159

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O1	C2	H3	121.907		O1	C2	H4	121.907
H3	C2	H4	116.186

All results from a given calculation for H₂CO (Formaldehyde)

using model chemistry: PBEPBE/Sadlej_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	-0.409
2	C	1.397
3	H	-0.494
4	H	-0.494

	x	y	z	Total
	0.000	0.000	-2.231	2.231
CHELPG
AIM
ESP

<r²>	17.342
(<r²>)^1/2	4.164

All results from a given calculation for H2CO (Formaldehyde)

using model chemistry: PBEPBE/Sadlej_pVTZ

States and conformations

All results from a given calculation for H₂CO (Formaldehyde)