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	hartrees
Energy at 0K	-22.825587
Energy at 298.15K	-22.827027
HF Energy	-22.825587
Nuclear repulsion energy	17.596717

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2938	2812	91.68
2	A₁	1835	1756	117.20
3	A₁	1531	1465	6.40
4	B₁	1186	1135	7.59
5	B₂	3006	2878	172.57
6	B₂	1255	1201	10.22

Atom	y (Å)	z (Å)
O1	0.000	0.683
C2	0.000	-0.535
H3	0.948	-1.127
H4	-0.948	-1.127

	O1	C2	H3	H4
O1		1.2184	2.0437	2.0437
C2	1.2184		1.1178	1.1178
H3	2.0437	1.1178		1.8964
H4	2.0437	1.1178	1.8964

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O1	C2	H3	121.980		O1	C2	H4	121.980
H3	C2	H4	116.041

All results from a given calculation for H₂CO (Formaldehyde)

using model chemistry: B3PW91/CEP-31G*

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	-0.090
2	C	-0.237
3	H	0.164
4	H	0.164

	x	y	z	Total
	0.000	0.000	-2.501	2.501
CHELPG
AIM
ESP

<r²>	15.456
(<r²>)^1/2	3.931

All results from a given calculation for H2CO (Formaldehyde)

using model chemistry: B3PW91/CEP-31G*

States and conformations

All results from a given calculation for H₂CO (Formaldehyde)