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	hartrees
Energy at 0K	-470.062512
Energy at 298.15K	-470.066755
HF Energy	-470.062512
Nuclear repulsion energy	161.613591

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3982	3800	0.00
2	A'	714	681	0.00
3	A'	632	603	0.00
4	A"	354	338	578.71
5	A"	285	272	0.09
6	E'	3981	3799	88.31
6	E'	3981	3799	88.31
7	E'	957	914	160.13
7	E'	957	913	160.12
8	E'	648	618	297.49
8	E'	648	618	297.49
9	E'	225	215	35.66
9	E'	225	215	35.66
10	E"	372	355	0.00
10	E"	372	355	0.00

Atom	x (Å)	y (Å)
Al1	0.000	0.000
O2	0.000	1.696
O3	-1.469	-0.848
O4	1.469	-0.848
H5	-0.774	2.252
H6	-1.563	-1.796
H7	2.337	-0.455

	Al1	O2	O3	O4	H5	H6	H7
Al1		1.6963	1.6963	1.6963	2.3810	2.3810	2.3810
O2	1.6963		2.9380	2.9380	0.9529	3.8263	3.1766
O3	1.6963	2.9380		2.9380	3.1766	0.9529	3.8263
O4	1.6963	2.9380	2.9380		3.8263	3.1766	0.9529
H5	2.3810	0.9529	3.1766	3.8263		4.1241	4.1241
H6	2.3810	3.8263	0.9529	3.1766	4.1241		4.1241
H7	2.3810	3.1766	3.8263	0.9529	4.1241	4.1241

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Al1	O2	H5	125.649	Al1	O3	H6	125.649
Al1	O4	H7	125.649	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: mPW1PW91/6-311G*

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	1.220
2	O	-0.841
3	O	-0.841
4	O	-0.841
5	H	0.434
6	H	0.434
7	H	0.434

	x	y	z
x	4.355	-0.000	0.000
y	-0.000	4.355	0.000
z	0.000	0.000	2.919

<r²>	102.900
(<r²>)^1/2	10.144

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

using model chemistry: mPW1PW91/6-311G*

States and conformations

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