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	hartrees
Energy at 0K	-469.991651
Energy at 298.15K	-469.995775
HF Energy	-469.991651
Nuclear repulsion energy	161.521939

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3988	3794	0.00
2	A'	708	674	0.00
3	A'	656	624	0.00
4	A"	312	297	417.93
5	A"	261	249	64.16
6	E'	3986	3793	106.35
6	E'	3986	3793	106.35
7	E'	956	910	150.92
7	E'	956	910	150.91
8	E'	682	649	241.63
8	E'	682	649	241.64
9	E'	230	219	31.79
9	E'	230	219	31.79
10	E"	330	314	0.00
10	E"	330	314	0.00

Atom	x (Å)	y (Å)
Al1	0.000	0.000
O2	0.000	1.701
O3	-1.473	-0.850
O4	1.473	-0.850
H5	-0.828	2.181
H6	-1.475	-1.808
H7	2.303	-0.374

	Al1	O2	O3	O4	H5	H6	H7
Al1		1.7006	1.7006	1.7006	2.3332	2.3332	2.3332
O2	1.7006		2.9454	2.9454	0.9573	3.8057	3.0996
O3	1.7006	2.9454		2.9454	3.0996	0.9573	3.8057
O4	1.7006	2.9454	2.9454		3.8057	3.0996	0.9573
H5	2.3332	0.9573	3.0996	3.8057		4.0413	4.0413
H6	2.3332	3.8057	0.9573	3.0996	4.0413		4.0413
H7	2.3332	3.0996	3.8057	0.9573	4.0413	4.0413

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Al1	O2	H5	120.158	Al1	O3	H6	120.158
Al1	O4	H7	120.158	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: mPW1PW91/6-31G**

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	1.045
2	O	-0.685
3	O	-0.685
4	O	-0.685
5	H	0.336
6	H	0.336
7	H	0.336

	x	y	z
x	4.356	-0.000	0.000
y	-0.000	4.356	0.000
z	0.000	0.000	3.033

<r²>	102.595
(<r²>)^1/2	10.129

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

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

States and conformations

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