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	hartrees
Energy at 0K	-469.848388
Energy at 298.15K	-469.852541
HF Energy	-469.848388
Nuclear repulsion energy	161.392812

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3977	3818	0.00
2	A'	700	672	0.00
3	A'	621	597	0.00
4	A"	335	321	500.90
5	A"	281	270	0.25
6	E'	3975	3816	126.67
6	E'	3975	3816	126.67
7	E'	935	898	189.04
7	E'	935	898	189.01
8	E'	633	607	239.17
8	E'	633	607	239.20
9	E'	218	210	35.17
9	E'	218	210	35.18
10	E"	360	346	0.00
10	E"	360	346	0.00

Atom	x (Å)	y (Å)
Al1	0.000	0.000
O2	0.000	1.700
O3	-1.472	-0.850
O4	1.472	-0.850
H5	-0.794	2.231
H6	-1.535	-1.803
H7	2.329	-0.428

	Al1	O2	O3	O4	H5	H6	H7
Al1		1.6997	1.6997	1.6997	2.3677	2.3677	2.3677
O2	1.6997		2.9440	2.9440	0.9552	3.8242	3.1541
O3	1.6997	2.9440		2.9440	3.1541	0.9552	3.8242
O4	1.6997	2.9440	2.9440		3.8242	3.1541	0.9552
H5	2.3677	0.9552	3.1541	3.8242		4.1010	4.1010
H6	2.3677	3.8242	0.9552	3.1541	4.1010		4.1010
H7	2.3677	3.1541	3.8242	0.9552	4.1010	4.1010

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Al1	O2	H5	123.759	Al1	O3	H6	123.759
Al1	O4	H7	123.759	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: HSEh1PBE/TZVP

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	0.871
2	O	-0.589
3	O	-0.589
4	O	-0.589
5	H	0.299
6	H	0.299
7	H	0.299

	x	y	z
x	4.669	-0.000	0.000
y	-0.000	4.669	0.000
z	0.000	0.000	3.428

<r²>	103.388
(<r²>)^1/2	10.168

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

using model chemistry: HSEh1PBE/TZVP

States and conformations

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