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	hartrees
Energy at 0K	-469.376842
Energy at 298.15K	-469.381008
HF Energy	-468.537729
Nuclear repulsion energy	161.719035

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3975	3923
2	A'	706	697
3	A'	611	603
4	A"	327	323
5	A"	296	292
6	E'	3974	3922
6	E'	3974	3922
7	E'	937	925
7	E'	937	924
8	E'	620	612
8	E'	618	610
9	E'	226	223
9	E'	223	220
10	E"	361	356
10	E"	361	356

Atom	x (Å)	y (Å)
Al1	0.000	0.000
O2	0.000	1.696
O3	-1.469	-0.848
O4	1.469	-0.848
H5	-0.790	2.231
H6	-1.537	-1.800
H7	2.327	-0.431

	Al1	O2	O3	O4	H5	H6	H7
Al1		1.6958	1.6958	1.6958	2.3669	2.3669	2.3669
O2	1.6958		2.9372	2.9372	0.9546	3.8187	3.1527
O3	1.6958	2.9372		2.9372	3.1527	0.9546	3.8187
O4	1.6958	2.9372	2.9372		3.8187	3.1527	0.9546
H5	2.3669	0.9546	3.1527	3.8187		4.0996	4.0996
H6	2.3669	3.8187	0.9546	3.1527	4.0996		4.0996
H7	2.3669	3.1527	3.8187	0.9546	4.0996	4.0996

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Al1	O2	H5	124.101	Al1	O3	H6	124.101
Al1	O4	H7	124.101	O2	Al1	O3	120.000
O2	Al1	O4	120.000	O3	Al1	O4	120.000

All results from a given calculation for H₃AlO₃ (Aluminum hydroxide)

using model chemistry: CCSD(T)/6-311+G(3df,2p)

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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All results from a given calculation for H3AlO3 (Aluminum hydroxide)

using model chemistry: CCSD(T)/6-311+G(3df,2p)

States and conformations

All results from a given calculation for H₃AlO₃ (Aluminum hydroxide)