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	hartrees
Energy at 0K	-470.015269
Energy at 298.15K	-470.019440
HF Energy	-470.015269
Nuclear repulsion energy	161.084507

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3995	3803	0.00
2	A'	696	663	0.00
3	A'	630	600	0.00
4	A"	338	322	499.08
5	A"	286	272	0.06
6	E'	3994	3801	137.09
6	E'	3994	3801	137.09
7	E'	933	888	201.38
7	E'	933	888	201.37
8	E'	645	614	239.73
8	E'	645	614	239.73
9	E'	217	206	36.54
9	E'	217	206	36.54
10	E"	368	350	0.00
10	E"	368	350	0.00

Atom	x (Å)	y (Å)
Al1	0.000	0.000
O2	0.000	1.703
O3	-1.475	-0.852
O4	1.475	-0.852
H5	-0.802	2.226
H6	-1.527	-1.808
H7	2.329	-0.419

	Al1	O2	O3	O4	H5	H6	H7
Al1		1.7034	1.7034	1.7034	2.3662	2.3662	2.3662
O2	1.7034		2.9504	2.9504	0.9573	3.8287	3.1506
O3	1.7034	2.9504		2.9504	3.1506	0.9573	3.8287
O4	1.7034	2.9504	2.9504		3.8287	3.1506	0.9573
H5	2.3662	0.9573	3.1506	3.8287		4.0983	4.0983
H6	2.3662	3.8287	0.9573	3.1506	4.0983		4.0983
H7	2.3662	3.1506	3.8287	0.9573	4.0983	4.0983

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Al1	O2	H5	123.092	Al1	O3	H6	123.092
Al1	O4	H7	123.092	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: mPW1PW91/6-31+G**

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	0.550
2	O	-0.548
3	O	-0.548
4	O	-0.548
5	H	0.365
6	H	0.365
7	H	0.365

	x	y	z
x	4.865	-0.000	0.000
y	-0.000	4.865	0.000
z	0.000	0.000	3.839

<r²>	103.859
(<r²>)^1/2	10.191

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

using model chemistry: mPW1PW91/6-31+G**

States and conformations

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