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	hartrees
Energy at 0K	-470.061728
Energy at 298.15K	-470.065909
HF Energy	-470.061728
Nuclear repulsion energy	161.547800

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3947	3796	0.00
2	A'	706	679	0.00
3	A'	643	618	0.00
4	A"	319	307	376.09
5	A"	285	274	0.80
6	E'	3946	3795	110.47
6	E'	3946	3795	110.47
7	E'	935	899	157.13
7	E'	935	899	157.12
8	E'	661	636	209.59
8	E'	661	636	209.59
9	E'	220	212	28.90
9	E'	220	212	28.90
10	E"	354	340	0.00
10	E"	354	340	0.00

Atom	x (Å)	y (Å)
Al1	0.000	0.000
O2	0.000	1.699
O3	-1.472	-0.850
O4	1.472	-0.850
H5	-0.813	2.202
H6	-1.500	-1.805
H7	2.313	-0.397

	Al1	O2	O3	O4	H5	H6	H7
Al1		1.6993	1.6993	1.6993	2.3472	2.3472	2.3472
O2	1.6993		2.9433	2.9433	0.9558	3.8120	3.1218
O3	1.6993	2.9433		2.9433	3.1218	0.9558	3.8120
O4	1.6993	2.9433	2.9433		3.8120	3.1218	0.9558
H5	2.3472	0.9558	3.1218	3.8120		4.0654	4.0654
H6	2.3472	3.8120	0.9558	3.1218	4.0654		4.0654
H7	2.3472	3.1218	3.8120	0.9558	4.0654	4.0654

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Al1	O2	H5	121.720	Al1	O3	H6	121.720
Al1	O4	H7	121.720	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: B3PW91/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	0.559
2	O	-0.381
3	O	-0.381
4	O	-0.381
5	H	0.195
6	H	0.195
7	H	0.195

<r²>	102.896
(<r²>)^1/2	10.144

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

using model chemistry: B3PW91/cc-pVTZ

States and conformations

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