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	hartrees
Energy at 0K	-114.551932
Energy at 298.15K
HF Energy	-114.551932
Nuclear repulsion energy	31.312483

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	2882	2882	74.51	189.21	0.11	0.19
2	A₁	1800	1800	106.76	8.41	0.28	0.44
3	A₁	1533	1533	11.90	9.22	0.40	0.57
4	B₁	1194	1194	6.31	0.26	0.75	0.86
5	B₂	2938	2938	124.88	112.10	0.75	0.86
6	B₂	1261	1261	11.31	1.13	0.75	0.86

Atom	y (Å)	z (Å)
O1	0.000	0.675
C2	0.000	-0.529
H3	0.940	-1.114
H4	-0.940	-1.114

	O1	C2	H3	H4
O1		1.2036	2.0205	2.0205
C2	1.2036		1.1070	1.1070
H3	2.0205	1.1070		1.8797
H4	2.0205	1.1070	1.8797

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O1	C2	H3	121.901		O1	C2	H4	121.901
H3	C2	H4	116.197

All results from a given calculation for H₂CO (Formaldehyde)

using model chemistry: TPSSh/aug-cc-pCVTZ

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	-0.458
2	C	-0.231
3	H	0.344
4	H	0.344

	x	y	z	Total
	0.000	0.000	-2.335	2.335
CHELPG
AIM
ESP

<r²>	16.971
(<r²>)^1/2	4.120

All results from a given calculation for H2CO (Formaldehyde)

using model chemistry: TPSSh/aug-cc-pCVTZ

States and conformations

All results from a given calculation for H₂CO (Formaldehyde)