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	hartrees
Energy at 0K	-469.814666
Energy at 298.15K	-469.818706
HF Energy	-469.814666
Nuclear repulsion energy	160.159774

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3803	3760	0.00
2	A'	688	680	0.00
3	A'	625	618	0.00
4	A"	294	291	312.80
5	A"	276	273	17.23
6	E'	3802	3759	91.33
6	E'	3802	3759	91.34
7	E'	898	888	153.06
7	E'	898	888	153.07
8	E'	655	648	187.08
8	E'	655	648	187.09
9	E'	210	208	27.71
9	E'	210	208	27.71
10	E"	339	336	0.00
10	E"	339	336	0.00

Atom	x (Å)	y (Å)
Al1	0.000	0.000
O2	0.000	1.714
O3	-1.485	-0.857
O4	1.485	-0.857
H5	-0.831	2.207
H6	-1.496	-1.823
H7	2.327	-0.384

	Al1	O2	O3	O4	H5	H6	H7
Al1		1.7145	1.7145	1.7145	2.3583	2.3583	2.3583
O2	1.7145		2.9696	2.9696	0.9660	3.8409	3.1333
O3	1.7145	2.9696		2.9696	3.1333	0.9660	3.8409
O4	1.7145	2.9696	2.9696		3.8409	3.1333	0.9660
H5	2.3583	0.9660	3.1333	3.8409		4.0848	4.0848
H6	2.3583	3.8409	0.9660	3.1333	4.0848		4.0848
H7	2.3583	3.1333	3.8409	0.9660	4.0848	4.0848

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Al1	O2	H5	120.659	Al1	O3	H6	120.659
Al1	O4	H7	120.659	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: PBEPBEultrafine/aug-cc-pVTZ

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	0.947
2	O	-0.437
3	O	-0.437
4	O	-0.437
5	H	0.121
6	H	0.121
7	H	0.121

<r²>	104.987
(<r²>)^1/2	10.246

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

using model chemistry: PBEPBEultrafine/aug-cc-pVTZ

States and conformations

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