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	hartrees
Energy at 0K	-469.869294
Energy at 298.15K	-469.873487
HF Energy	-469.869294
Nuclear repulsion energy	162.555800

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3972	3972	0.00
2	A'	713	713	0.00
3	A'	634	634	0.00
4	A"	325	325	386.73
5	A"	284	284	0.33
6	E'	3971	3971	119.93
6	E'	3971	3971	119.92
7	E'	948	948	159.32
7	E'	948	948	159.30
8	E'	645	645	217.29
8	E'	645	645	217.31
9	E'	222	222	29.68
9	E'	222	222	29.69
10	E"	358	358	0.00
10	E"	358	358	0.00

Atom	x (Å)	y (Å)
Al1	0.000	0.000
O2	0.000	1.687
O3	-1.461	-0.844
O4	1.461	-0.844
H5	-0.803	2.203
H6	-1.506	-1.797
H7	2.309	-0.406

	Al1	O2	O3	O4	H5	H6	H7
Al1		1.6871	1.6871	1.6871	2.3443	2.3443	2.3443
O2	1.6871		2.9222	2.9222	0.9541	3.7953	3.1164
O3	1.6871	2.9222		2.9222	3.1164	0.9541	3.7953
O4	1.6871	2.9222	2.9222		3.7953	3.1164	0.9541
H5	2.3443	0.9541	3.1164	3.7953		4.0605	4.0605
H6	2.3443	3.7953	0.9541	3.1164	4.0605		4.0605
H7	2.3443	3.1164	3.7953	0.9541	4.0605	4.0605

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Al1	O2	H5	122.695	Al1	O3	H6	122.695
Al1	O4	H7	122.695	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: HSEh1PBE/cc-pV(T+d)Z

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	0.674
2	O	-0.424
3	O	-0.424
4	O	-0.424
5	H	0.199
6	H	0.199
7	H	0.199

	x	y	z
x	4.907	-0.000	0.000
y	-0.000	4.907	0.000
z	0.000	0.000	3.986

<r²>	101.785
(<r²>)^1/2	10.089

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

using model chemistry: HSEh1PBE/cc-pV(T+d)Z

States and conformations

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