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	hartrees
Energy at 0K	-469.811792
Energy at 298.15K	-469.815848
HF Energy	-469.811792
Nuclear repulsion energy	160.977220

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3812	3812	0.00
2	A'	692	692	0.00
3	A'	625	625	0.00
4	A"	295	295	325.64
5	A"	274	274	5.46
6	E'	3812	3812	88.51
6	E'	3812	3812	88.51
7	E'	912	912	133.91
7	E'	912	912	133.92
8	E'	648	648	195.24
8	E'	648	648	195.25
9	E'	213	213	26.57
9	E'	213	213	26.57
10	E"	343	343	0.00
10	E"	343	343	0.00

Atom	x (Å)	y (Å)
Al1	0.000	0.000
O2	0.000	1.705
O3	-1.477	-0.852
O4	1.477	-0.852
H5	-0.832	2.195
H6	-1.485	-1.818
H7	2.317	-0.377

	Al1	O2	O3	O4	H5	H6	H7
Al1		1.7049	1.7049	1.7049	2.3475	2.3475	2.3475
O2	1.7049		2.9530	2.9530	0.9657	3.8232	3.1149
O3	1.7049	2.9530		2.9530	3.1149	0.9657	3.8232
O4	1.7049	2.9530	2.9530		3.8232	3.1149	0.9657
H5	2.3475	0.9657	3.1149	3.8232		4.0660	4.0660
H6	2.3475	3.8232	0.9657	3.1149	4.0660		4.0660
H7	2.3475	3.1149	3.8232	0.9657	4.0660	4.0660

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Al1	O2	H5	120.502	Al1	O3	H6	120.502
Al1	O4	H7	120.502	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: PBEPBEultrafine/cc-pV(T+d)Z

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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Number	Element	Mulliken
1	Al	0.580
2	O	-0.389
3	O	-0.389
4	O	-0.389
5	H	0.195
6	H	0.195
7	H	0.195

<r²>	103.517
(<r²>)^1/2	10.174

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

using model chemistry: PBEPBEultrafine/cc-pV(T+d)Z

States and conformations

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