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	hartrees
Energy at 0K	-470.099459
Energy at 298.15K	-470.103603
HF Energy	-470.099459
Nuclear repulsion energy	160.592937

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3929	3782	0.00
2	A'	690	665	0.00
3	A'	625	601	0.00
4	A"	333	321	488.65
5	A"	286	276	0.24
6	E'	3927	3781	124.68
6	E'	3927	3781	124.69
7	E'	923	889	199.46
7	E'	923	889	199.44
8	E'	639	615	235.31
8	E'	639	615	235.34
9	E'	217	209	36.10
9	E'	217	209	36.11
10	E"	365	352	0.00
10	E"	365	352	0.00

Atom	x (Å)	y (Å)
Al1	0.000	0.000
O2	0.000	1.708
O3	-1.479	-0.854
O4	1.479	-0.854
H5	-0.803	2.237
H6	-1.536	-1.814
H7	2.339	-0.423

	Al1	O2	O3	O4	H5	H6	H7
Al1		1.7082	1.7082	1.7082	2.3769	2.3769	2.3769
O2	1.7082		2.9586	2.9586	0.9614	3.8424	3.1645
O3	1.7082	2.9586		2.9586	3.1645	0.9614	3.8424
O4	1.7082	2.9586	2.9586		3.8424	3.1645	0.9614
H5	2.3769	0.9614	3.1645	3.8424		4.1169	4.1169
H6	2.3769	3.8424	0.9614	3.1645	4.1169		4.1169
H7	2.3769	3.1645	3.8424	0.9614	4.1169	4.1169

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Al1	O2	H5	123.388	Al1	O3	H6	123.388
Al1	O4	H7	123.388	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: B3LYPultrafine/6-31+G**

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	0.550
2	O	-0.540
3	O	-0.540
4	O	-0.540
5	H	0.356
6	H	0.356
7	H	0.356

<r²>	104.588
(<r²>)^1/2	10.227

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

using model chemistry: B3LYPultrafine/6-31+G**

States and conformations

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