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	hartrees
Energy at 0K	-470.185019
Energy at 298.15K	-470.189172
HF Energy	-470.185019
Nuclear repulsion energy	161.553942

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3910	3910	0.00
2	A'	703	703	0.00
3	A'	629	629	0.00
4	A"	321	321	355.15
5	A"	283	283	14.36
6	E'	3909	3909	100.02
6	E'	3909	3909	100.12
7	E'	926	926	164.85
7	E'	926	926	164.92
8	E'	645	645	213.59
8	E'	645	645	213.63
9	E'	218	218	28.63
9	E'	218	218	28.61
10	E"	360	360	0.00
10	E"	360	360	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	-0.805	2.218
H6	-1.518	-1.806
H7	2.323	-0.412

	Al1	O2	O3	O4	H5	H6	H7
Al1		1.6978	1.6978	1.6978	2.3596	2.3596	2.3596
O2	1.6978		2.9406	2.9406	0.9586	3.8189	3.1382
O3	1.6978	2.9406		2.9406	3.1382	0.9586	3.8189
O4	1.6978	2.9406	2.9406		3.8189	3.1382	0.9586
H5	2.3596	0.9586	3.1382	3.8189		4.0870	4.0870
H6	2.3596	3.8189	0.9586	3.1382	4.0870		4.0870
H7	2.3596	3.1382	3.8189	0.9586	4.0870	4.0870

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Al1	O2	H5	122.868	Al1	O3	H6	122.868
Al1	O4	H7	122.868	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/6-311+G(3df,2p)

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	1.259
2	O	-0.622
3	O	-0.622
4	O	-0.622
5	H	0.203
6	H	0.203
7	H	0.203

	x	y	z
x	5.612	-0.001	0.000
y	-0.001	5.610	0.000
z	0.000	0.000	4.684

<r²>	103.248
(<r²>)^1/2	10.161

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

using model chemistry: TPSSh/6-311+G(3df,2p)

States and conformations

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