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	hartrees
Energy at 0K	-467.460111
Energy at 298.15K	-467.463884
HF Energy	-467.460111
Nuclear repulsion energy	160.237955

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3696	3581	0.00
2	A'	755	732	0.00
3	A'	533	517	0.00
4	A"	262	254	372.15
5	A"	234	227	239.55
6	E'	3699	3584	45.76
6	E'	3699	3584	45.73
7	E'	1010	978	72.02
7	E'	1010	978	72.00
8	E'	552	535	297.64
8	E'	552	535	297.64
9	E'	259	251	34.29
9	E'	259	251	34.30
10	E"	264	256	0.00
10	E"	264	256	0.00

Atom	x (Å)	y (Å)
Al1	0.000	0.000
O2	0.000	1.705
O3	-1.476	-0.852
O4	1.476	-0.852
H5	-0.766	2.317
H6	-1.624	-1.822
H7	2.390	-0.495

	Al1	O2	O3	O4	H5	H6	H7
Al1		1.7045	1.7045	1.7045	2.4404	2.4404	2.4404
O2	1.7045		2.9523	2.9523	0.9808	3.8823	3.2479
O3	1.7045	2.9523		2.9523	3.2479	0.9808	3.8823
O4	1.7045	2.9523	2.9523		3.8823	3.2479	0.9808
H5	2.4404	0.9808	3.2479	3.8823		4.2270	4.2270
H6	2.4404	3.8823	0.9808	3.2479	4.2270		4.2270
H7	2.4404	3.2479	3.8823	0.9808	4.2270	4.2270

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Al1	O2	H5	128.648	Al1	O3	H6	128.648
Al1	O4	H7	128.648	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/3-21G

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	1.140
2	O	-0.761
3	O	-0.761
4	O	-0.761
5	H	0.381
6	H	0.381
7	H	0.381

	x	y	z
x	4.516	-0.000	0.000
y	-0.000	4.516	0.000
z	0.000	0.000	2.461

<r²>	104.139
(<r²>)^1/2	10.205

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

using model chemistry: TPSSh/3-21G

States and conformations

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