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	hartrees
Energy at 0K	-469.836748
Energy at 298.15K	-469.840951
HF Energy	-469.836748
Nuclear repulsion energy	162.396701

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3971	3971	0.00
2	A'	713	713	0.00
3	A'	638	638	0.00
4	A"	322	322	386.04
5	A"	284	284	0.31
6	E'	3970	3970	119.79
6	E'	3970	3970	119.78
7	E'	947	947	159.86
7	E'	947	947	159.87
8	E'	651	651	215.26
8	E'	651	651	215.25
9	E'	222	222	29.54
9	E'	222	222	29.53
10	E"	356	356	0.00
10	E"	356	356	0.00

Atom	x (Å)	y (Å)
Al1	0.000	0.000
O2	0.000	1.689
O3	-1.463	-0.845
O4	1.463	-0.845
H5	-0.806	2.200
H6	-1.502	-1.798
H7	2.308	-0.402

	Al1	O2	O3	O4	H5	H6	H7
Al1		1.6893	1.6893	1.6893	2.3426	2.3426	2.3426
O2	1.6893		2.9259	2.9259	0.9542	3.7969	3.1142
O3	1.6893	2.9259		2.9259	3.1142	0.9542	3.7969
O4	1.6893	2.9259	2.9259		3.7969	3.1142	0.9542
H5	2.3426	0.9542	3.1142	3.7969		4.0576	4.0576
H6	2.3426	3.7969	0.9542	3.1142	4.0576		4.0576
H7	2.3426	3.1142	3.7969	0.9542	4.0576	4.0576

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Al1	O2	H5	122.329	Al1	O3	H6	122.329
Al1	O4	H7	122.329	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: PBE1PBE/cc-pCVTZ

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	0.597
2	O	-0.403
3	O	-0.403
4	O	-0.403
5	H	0.204
6	H	0.204
7	H	0.204

	x	y	z
x	4.910	-0.000	0.000
y	-0.000	4.910	0.000
z	0.000	0.000	4.006

<r²>	101.938
(<r²>)^1/2	10.096

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

using model chemistry: PBE1PBE/cc-pCVTZ

States and conformations

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