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	hartrees
Energy at 0K	-467.546718
Energy at 298.15K	-467.550671
HF Energy	-467.546718
Nuclear repulsion energy	161.011583

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3642	3517	0.00
2	A'	743	717	0.00
3	A'	585	565	0.00
4	A"	291	281	352.10
5	A"	241	233	163.69
6	E'	3643	3518	34.85
6	E'	3643	3518	34.80
7	E'	1010	976	93.97
7	E'	1010	976	93.97
8	E'	599	579	282.66
8	E'	599	579	282.62
9	E'	242	234	30.57
9	E'	242	234	30.56
10	E"	304	294	0.00
10	E"	304	294	0.00

Atom	x (Å)	y (Å)
Al1	0.000	0.000
O2	0.000	1.698
O3	-1.470	-0.849
O4	1.470	-0.849
H5	-0.815	2.251
H6	-1.542	-1.831
H7	2.357	-0.420

	Al1	O2	O3	O4	H5	H6	H7
Al1		1.6976	1.6976	1.6976	2.3939	2.3939	2.3939
O2	1.6976		2.9404	2.9404	0.9851	3.8510	3.1682
O3	1.6976	2.9404		2.9404	3.1682	0.9851	3.8510
O4	1.6976	2.9404	2.9404		3.8510	3.1682	0.9851
H5	2.3939	0.9851	3.1682	3.8510		4.1464	4.1464
H6	2.3939	3.8510	0.9851	3.1682	4.1464		4.1464
H7	2.3939	3.1682	3.8510	0.9851	4.1464	4.1464

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Al1	O2	H5	124.169	Al1	O3	H6	124.169
Al1	O4	H7	124.169	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: TPSSh/3-21G*

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	0.811
2	O	-0.642
3	O	-0.642
4	O	-0.642
5	H	0.371
6	H	0.371
7	H	0.371

	x	y	z
x	4.342	-0.001	0.000
y	-0.001	4.342	0.000
z	0.000	0.000	2.710

<r²>	102.642
(<r²>)^1/2	10.131

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

using model chemistry: TPSSh/3-21G*

States and conformations

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