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	hartrees
Energy at 0K	-470.099960
Energy at 298.15K	-470.104341
HF Energy	-470.099960
Nuclear repulsion energy	162.273863

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3989	3812	0.00
2	A'	723	691	0.00
3	A'	632	604	0.00
4	A"	381	364	394.97
5	A"	296	283	29.07
6	E'	3987	3810	150.94
6	E'	3987	3810	151.87
7	E'	964	921	187.01
7	E'	963	921	187.26
8	E'	643	615	218.06
8	E'	643	614	218.35
9	E'	227	217	32.75
9	E'	227	217	32.73
10	E"	405	387	0.00
10	E"	405	387	0.00

Atom	x (Å)	y (Å)
Al1	0.000	0.000
O2	0.000	1.689
O3	-1.463	-0.845
O4	1.463	-0.845
H5	-0.792	2.222
H6	-1.529	-1.797
H7	2.321	-0.425

	Al1	O2	O3	O4	H5	H6	H7
Al1		1.6893	1.6893	1.6893	2.3595	2.3595	2.3595
O2	1.6893		2.9260	2.9260	0.9550	3.8070	3.1396
O3	1.6893	2.9260		2.9260	3.1396	0.9550	3.8070
O4	1.6893	2.9260	2.9260		3.8070	3.1396	0.9550
H5	2.3595	0.9550	3.1396	3.8070		4.0867	4.0867
H6	2.3595	3.8070	0.9550	3.1396	4.0867		4.0867
H7	2.3595	3.1396	3.8070	0.9550	4.0867	4.0867

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Al1	O2	H5	123.936	Al1	O3	H6	123.936
Al1	O4	H7	123.936	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: M06-2X/aug-cc-pVTZ

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	0.656
2	O	-0.418
3	O	-0.418
4	O	-0.418
5	H	0.199
6	H	0.199
7	H	0.199

	x	y	z
x	5.283	0.011	0.000
y	0.011	5.290	0.000
z	0.000	0.000	4.334

<r²>	102.511
(<r²>)^1/2	10.125

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

using model chemistry: M06-2X/aug-cc-pVTZ

States and conformations

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