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	hartrees
Energy at 0K	-469.744066
Energy at 298.15K	-469.748135
HF Energy	-469.744066
Nuclear repulsion energy	159.919039

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3794	3754	0.00
2	A'	693	686	0.00
3	A'	624	618	0.00
4	A"	309	306	488.13
5	A"	269	266	0.35
6	E'	3794	3754	58.97
6	E'	3794	3754	58.97
7	E'	920	910	126.60
7	E'	920	910	126.61
8	E'	655	648	259.00
8	E'	655	648	259.00
9	E'	215	213	30.80
9	E'	215	213	30.80
10	E"	348	344	0.00
10	E"	348	344	0.00

Atom	x (Å)	y (Å)
Al1	0.000	0.000
O2	0.000	1.716
O3	-1.486	-0.858
O4	1.486	-0.858
H5	-0.814	2.237
H6	-1.530	-1.823
H7	2.344	-0.414

	Al1	O2	O3	O4	H5	H6	H7
Al1		1.7158	1.7158	1.7158	2.3802	2.3802	2.3802
O2	1.7158		2.9719	2.9719	0.9661	3.8555	3.1669
O3	1.7158	2.9719		2.9719	3.1669	0.9661	3.8555
O4	1.7158	2.9719	2.9719		3.8555	3.1669	0.9661
H5	2.3802	0.9661	3.1669	3.8555		4.1225	4.1225
H6	2.3802	3.8555	0.9661	3.1669	4.1225		4.1225
H7	2.3802	3.1669	3.8555	0.9661	4.1225	4.1225

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Al1	O2	H5	122.631	Al1	O3	H6	122.631
Al1	O4	H7	122.631	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: PBEPBEultrafine/6-311G*

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	1.067
2	O	-0.773
3	O	-0.773
4	O	-0.773
5	H	0.417
6	H	0.417
7	H	0.417

<r²>	104.795
(<r²>)^1/2	10.237

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

using model chemistry: PBEPBEultrafine/6-311G*

States and conformations

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