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	hartrees
Energy at 0K	-469.827444
Energy at 298.15K	-469.831224
HF Energy	-469.827444
Nuclear repulsion energy	160.087225

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3973	3805	0.00
2	A'	725	694	0.00
3	A'	437	418	0.00
4	A"	377	361	824.54
5	A"	278	266	4.46
6	E'	3973	3805	130.80
6	E'	3973	3805	130.80
7	E'	972	931	122.59
7	E'	972	931	122.58
8	E'	425	407	345.22
8	E'	425	407	345.21
9	E'	234	224	65.76
9	E'	234	224	65.75
10	E"	346	331	0.00
10	E"	346	331	0.00

Atom	x (Å)	y (Å)
Al1	0.000	0.000
O2	0.000	1.705
O3	-1.476	-0.852
O4	1.476	-0.852
H5	-0.611	2.441
H6	-1.809	-1.750
H7	2.420	-0.692

	Al1	O2	O3	O4	H5	H6	H7
Al1		1.7047	1.7047	1.7047	2.5167	2.5167	2.5167
O2	1.7047		2.9526	2.9526	0.9570	3.8993	3.4056
O3	1.7047	2.9526		2.9526	3.4056	0.9570	3.8993
O4	1.7047	2.9526	2.9526		3.8993	3.4056	0.9570
H5	2.5167	0.9570	3.4056	3.8993		4.3590	4.3590
H6	2.5167	3.8993	0.9570	3.4056	4.3590		4.3590
H7	2.5167	3.4056	3.8993	0.9570	4.3590	4.3590

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Al1	O2	H5	140.344	Al1	O3	H6	140.344
Al1	O4	H7	140.344	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: B3PW91/6-31G

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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Number	Element	Mulliken
1	Al	1.507
2	O	-0.917
3	O	-0.917
4	O	-0.917
5	H	0.415
6	H	0.415
7	H	0.415

<r²>	105.131
(<r²>)^1/2	10.253

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

using model chemistry: B3PW91/6-31G

States and conformations

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