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	hartrees
Energy at 0K	-112.957314
Energy at 298.15K	-112.958719
HF Energy	-112.957314
Nuclear repulsion energy	30.286614

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3139	2801	2.48
2	A₁	1858	1658	6.51
3	A₁	1620	1445	2.62
4	B₁	1132	1010	7.74
5	B₂	3256	2905	49.13
6	B₂	1274	1137	15.67

Atom	y (Å)	z (Å)
O1	0.000	0.702
C2	0.000	-0.548
H3	0.941	-1.165
H4	-0.941	-1.165

	O1	C2	H3	H4
O1		1.2506	2.0908	2.0908
C2	1.2506		1.1250	1.1250
H3	2.0908	1.1250		1.8819
H4	2.0908	1.1250	1.8819

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O1	C2	H3	123.234		O1	C2	H4	123.234
H3	C2	H4	113.531

All results from a given calculation for H₂CO (Formaldehyde)

using model chemistry: B3LYPultrafine/STO-3G

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	-0.151
2	C	0.021
3	H	0.065
4	H	0.065

	x	y	z	Total
	0.000	0.000	-1.352	1.352
CHELPG
AIM
ESP

<r²>	16.907
(<r²>)^1/2	4.112

All results from a given calculation for H2CO (Formaldehyde)

using model chemistry: B3LYPultrafine/STO-3G

States and conformations

All results from a given calculation for H₂CO (Formaldehyde)