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	hartrees
Energy at 0K	-470.195976
Energy at 298.15K	-470.200142
HF Energy	-470.195976
Nuclear repulsion energy	160.934028

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3921	3777	0.00
2	A'	694	669	0.00
3	A'	622	599	0.00
4	A"	337	325	495.29
5	A"	284	273	1.24
6	E'	3919	3776	114.46
6	E'	3919	3776	114.46
7	E'	925	891	185.22
7	E'	925	891	185.22
8	E'	633	610	239.40
8	E'	633	610	239.43
9	E'	220	212	34.25
9	E'	220	212	34.25
10	E"	364	351	0.00
10	E"	364	351	0.00

Atom	x (Å)	y (Å)
Al1	0.000	0.000
O2	0.000	1.704
O3	-1.476	-0.852
O4	1.476	-0.852
H5	-0.794	2.241
H6	-1.544	-1.808
H7	2.338	-0.433

	Al1	O2	O3	O4	H5	H6	H7
Al1		1.7043	1.7043	1.7043	2.3774	2.3774	2.3774
O2	1.7043		2.9519	2.9519	0.9582	3.8365	3.1674
O3	1.7043	2.9519		2.9519	3.1674	0.9582	3.8365
O4	1.7043	2.9519	2.9519		3.8365	3.1674	0.9582
H5	2.3774	0.9582	3.1674	3.8365		4.1177	4.1177
H6	2.3774	3.8365	0.9582	3.1674	4.1177		4.1177
H7	2.3774	3.1674	3.8365	0.9582	4.1177	4.1177

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Al1	O2	H5	124.058	Al1	O3	H6	124.058
Al1	O4	H7	124.058	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/TZVP

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	0.877
2	O	-0.588
3	O	-0.588
4	O	-0.588
5	H	0.296
6	H	0.296
7	H	0.296

<r²>	104.020
(<r²>)^1/2	10.199

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

using model chemistry: B3LYPultrafine/TZVP

States and conformations

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