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	hartrees
Energy at 0K	-468.326499
Energy at 298.15K	-468.330577
HF Energy	-468.326499
Nuclear repulsion energy	162.949784

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3846	3807	0.00
2	A'	708	700	0.00
3	A'	611	605	0.00
4	A"	311	308	362.40
5	A"	276	273	2.63
6	E'	3845	3806	132.24
6	E'	3845	3806	132.22
7	E'	949	940	139.73
7	E'	949	940	139.71
8	E'	619	613	210.81
8	E'	619	613	210.80
9	E'	211	209	28.69
9	E'	211	209	28.68
10	E"	353	349	0.00
10	E"	353	349	0.00

Atom	x (Å)	y (Å)
Al1	0.000	0.000
O2	0.000	1.680
O3	-1.455	-0.840
O4	1.455	-0.840
H5	-0.815	2.198
H6	-1.496	-1.805
H7	2.311	-0.393

	Al1	O2	O3	O4	H5	H6	H7
Al1		1.6803	1.6803	1.6803	2.3445	2.3445	2.3445
O2	1.6803		2.9104	2.9104	0.9656	3.7929	3.1051
O3	1.6803	2.9104		2.9104	3.1051	0.9656	3.7929
O4	1.6803	2.9104	2.9104		3.7929	3.1051	0.9656
H5	2.3445	0.9656	3.1051	3.7929		4.0607	4.0607
H6	2.3445	3.7929	0.9656	3.1051	4.0607		4.0607
H7	2.3445	3.1051	3.7929	0.9656	4.0607	4.0607

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Al1	O2	H5	122.435	Al1	O3	H6	122.435
Al1	O4	H7	122.435	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: LSDA/cc-pV(T+d)Z

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	0.488
2	O	-0.367
3	O	-0.367
4	O	-0.367
5	H	0.204
6	H	0.204
7	H	0.204

	x	y	z
x	5.281	-0.000	0.000
y	-0.000	5.282	0.000
z	0.000	0.000	4.240

<r²>	101.198
(<r²>)^1/2	10.060

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

using model chemistry: LSDA/cc-pV(T+d)Z

States and conformations

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