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	hartrees
Energy at 0K	-469.676045
Energy at 298.15K	-469.680169
HF Energy	-469.676045
Nuclear repulsion energy	161.274020

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3906	3712	0.00
2	A'	706	671	0.00
3	A'	670	636	0.00
4	A"	313	297	429.23
5	A"	259	246	60.25
6	E'	3905	3710	101.04
6	E'	3905	3710	101.04
7	E'	953	906	154.07
7	E'	953	906	154.07
8	E'	701	666	241.84
8	E'	701	666	241.84
9	E'	225	214	32.95
9	E'	225	214	32.94
10	E"	335	319	0.00
10	E"	335	319	0.00

Atom	x (Å)	y (Å)
Al1	0.000	0.000
O2	0.000	1.703
O3	-1.475	-0.852
O4	1.475	-0.852
H5	-0.842	2.169
H6	-1.458	-1.814
H7	2.299	-0.355

	Al1	O2	O3	O4	H5	H6	H7
Al1		1.7035	1.7035	1.7035	2.3267	2.3267	2.3267
O2	1.7035		2.9505	2.9505	0.9620	3.8071	3.0865
O3	1.7035	2.9505		2.9505	3.0865	0.9620	3.8071
O4	1.7035	2.9505	2.9505		3.8071	3.0865	0.9620
H5	2.3267	0.9620	3.0865	3.8071		4.0300	4.0300
H6	2.3267	3.8071	0.9620	3.0865	4.0300		4.0300
H7	2.3267	3.0865	3.8071	0.9620	4.0300	4.0300

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Al1	O2	H5	118.946	Al1	O3	H6	118.946
Al1	O4	H7	118.947	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/6-31G*

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	1.042
2	O	-0.780
3	O	-0.780
4	O	-0.780
5	H	0.432
6	H	0.432
7	H	0.432

	x	y	z
x	4.365	-0.000	0.000
y	-0.000	4.365	0.000
z	0.000	0.000	3.045

<r²>	102.855
(<r²>)^1/2	10.142

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

using model chemistry: PBE1PBE/6-31G*

States and conformations

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