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	hartrees
Energy at 0K	-470.195978
Energy at 298.15K	-470.200137
HF Energy	-470.195978
Nuclear repulsion energy	160.924689

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3921	3786	0.00
2	A'	694	670	0.00
3	A'	623	601	0.00
4	A"	335	323	496.20
5	A"	283	273	0.27
6	E'	3920	3784	114.36
6	E'	3920	3784	114.34
7	E'	925	893	185.25
7	E'	925	893	185.24
8	E'	634	612	239.25
8	E'	634	612	239.23
9	E'	221	213	34.18
9	E'	221	213	34.18
10	E"	361	349	0.00
10	E"	361	349	0.00

Atom	x (Å)	y (Å)
Al1	0.000	0.000
O2	0.000	1.704
O3	-1.476	-0.852
O4	1.476	-0.852
H5	-0.794	2.240
H6	-1.543	-1.808
H7	2.337	-0.432

	Al1	O2	O3	O4	H5	H6	H7
Al1		1.7044	1.7044	1.7044	2.3771	2.3771	2.3771
O2	1.7044		2.9522	2.9522	0.9582	3.8365	3.1669
O3	1.7044	2.9522		2.9522	3.1669	0.9582	3.8365
O4	1.7044	2.9522	2.9522		3.8365	3.1669	0.9582
H5	2.3771	0.9582	3.1669	3.8365		4.1172	4.1172
H6	2.3771	3.8365	0.9582	3.1669	4.1172		4.1172
H7	2.3771	3.1669	3.8365	0.9582	4.1172	4.1172

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Al1	O2	H5	124.011	Al1	O3	H6	124.011
Al1	O4	H7	124.011	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: B3LYP/TZVP

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	0.877
2	O	-0.588
3	O	-0.588
4	O	-0.588
5	H	0.296
6	H	0.296
7	H	0.296

	x	y	z
x	4.774	0.001	0.000
y	0.001	4.774	0.000
z	0.000	0.000	3.460

<r²>	104.030
(<r²>)^1/2	10.200

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

using model chemistry: B3LYP/TZVP

States and conformations

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