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	hartrees
Energy at 0K	-470.096230
Energy at 298.15K	-470.100346
HF Energy	-470.096230
Nuclear repulsion energy	159.556223

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3755	3746	0.00
2	A'	694	693	0.00
3	A'	628	626	0.00
4	A"	315	315	481.20
5	A"	271	271	6.16
6	E'	3755	3746	50.33
6	E'	3755	3746	50.33
7	E'	914	912	126.26
7	E'	914	912	126.24
8	E'	660	659	259.39
8	E'	660	659	259.43
9	E'	222	222	29.38
9	E'	222	222	29.37
10	E"	352	351	0.00
10	E"	352	351	0.00

Atom	x (Å)	y (Å)
Al1	0.000	0.000
O2	0.000	1.719
O3	-1.489	-0.860
O4	1.489	-0.860
H5	-0.811	2.249
H6	-1.542	-1.826
H7	2.353	-0.422

	Al1	O2	O3	O4	H5	H6	H7
Al1		1.7194	1.7194	1.7194	2.3903	2.3903	2.3903
O2	1.7194		2.9780	2.9780	0.9681	3.8665	3.1815
O3	1.7194	2.9780		2.9780	3.1815	0.9681	3.8665
O4	1.7194	2.9780	2.9780		3.8665	3.1815	0.9681
H5	2.3903	0.9681	3.1815	3.8665		4.1402	4.1402
H6	2.3903	3.8665	0.9681	3.1815	4.1402		4.1402
H7	2.3903	3.1815	3.8665	0.9681	4.1402	4.1402

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Al1	O2	H5	123.145	Al1	O3	H6	123.145
Al1	O4	H7	123.145	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: BLYP/6-311G*

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	1.070
2	O	-0.764
3	O	-0.764
4	O	-0.764
5	H	0.407
6	H	0.407
7	H	0.407

	x	y	z
x	4.994	0.001	0.000
y	0.001	4.994	0.000
z	0.000	0.000	3.304

<r²>	105.347
(<r²>)^1/2	10.264

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

using model chemistry: BLYP/6-311G*

States and conformations

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