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	hartrees
Energy at 0K	-470.046321
Energy at 298.15K	-470.050423
HF Energy	-470.046321
Nuclear repulsion energy	160.281512

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3846	3792	0.00
2	A'	696	686	0.00
3	A'	639	630	0.00
4	A"	298	294	330.16
5	A"	277	273	5.30
6	E'	3845	3791	81.48
6	E'	3845	3791	81.46
7	E'	909	896	144.48
7	E'	909	896	144.46
8	E'	669	659	194.55
8	E'	669	659	194.54
9	E'	217	214	26.34
9	E'	217	214	26.36
10	E"	343	338	0.00
10	E"	343	338	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	-0.827	2.202
H6	-1.493	-1.818
H7	2.321	-0.385

	Al1	O2	O3	O4	H5	H6	H7
Al1		1.7143	1.7143	1.7143	2.3524	2.3524	2.3524
O2	1.7143		2.9693	2.9693	0.9605	3.8347	3.1291
O3	1.7143	2.9693		2.9693	3.1291	0.9605	3.8347
O4	1.7143	2.9693	2.9693		3.8347	3.1291	0.9605
H5	2.3524	0.9605	3.1291	3.8347		4.0745	4.0745
H6	2.3524	3.8347	0.9605	3.1291	4.0745		4.0745
H7	2.3524	3.1291	3.8347	0.9605	4.0745	4.0745

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Al1	O2	H5	120.522	Al1	O3	H6	120.522
Al1	O4	H7	120.522	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: B97D3/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	0.552
2	O	-0.380
3	O	-0.380
4	O	-0.380
5	H	0.196
6	H	0.196
7	H	0.196

	x	y	z
x	5.332	0.001	0.000
y	0.001	5.333	0.000
z	0.000	0.000	4.350

<r²>	104.375
(<r²>)^1/2	10.216

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

using model chemistry: B97D3/cc-pVTZ

States and conformations

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