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	hartrees
Energy at 0K	-470.083272
Energy at 298.15K	-470.087426
HF Energy	-470.083272
Nuclear repulsion energy	161.699986

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3886	3750	0.00
2	A'	719	693	0.00
3	A'	660	636	0.00
4	A"	303	293	344.39
5	A"	276	266	10.07
6	E'	3886	3750	90.73
6	E'	3886	3750	90.67
7	E'	947	914	123.99
7	E'	947	914	124.06
8	E'	691	667	214.61
8	E'	691	667	214.60
9	E'	214	206	26.07
9	E'	213	206	26.06
10	E"	350	338	0.00
10	E"	350	338	0.00

Atom	x (Å)	y (Å)
Al1	0.000	0.000
O2	0.000	1.698
O3	-1.471	-0.849
O4	1.471	-0.849
H5	-0.835	2.172
H6	-1.463	-1.810
H7	2.299	-0.362

	Al1	O2	O3	O4	H5	H6	H7
Al1		1.6983	1.6983	1.6983	2.3272	2.3272	2.3272
O2	1.6983		2.9415	2.9415	0.9605	3.8008	3.0872
O3	1.6983	2.9415		2.9415	3.0872	0.9605	3.8008
O4	1.6983	2.9415	2.9415		3.8008	3.0872	0.9605
H5	2.3272	0.9605	3.0872	3.8008		4.0308	4.0308
H6	2.3272	3.8008	0.9605	3.0872	4.0308		4.0308
H7	2.3272	3.0872	3.8008	0.9605	4.0308	4.0308

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Al1	O2	H5	119.556	Al1	O3	H6	119.556
Al1	O4	H7	119.556	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: TPSSh/6-31G(2df,p)

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	0.918
2	O	-0.621
3	O	-0.621
4	O	-0.621
5	H	0.315
6	H	0.315
7	H	0.315

	x	y	z
x	4.860	-0.001	0.000
y	-0.001	4.859	0.000
z	0.000	0.000	3.895

<r²>	102.252
(<r²>)^1/2	10.112

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

using model chemistry: TPSSh/6-31G(2df,p)

States and conformations

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