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	hartrees
Energy at 0K	-469.727706
Energy at 298.15K	-469.731908
HF Energy	-469.727706
Nuclear repulsion energy	162.443177

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3980	3809	0.00
2	A'	724	693	0.00
3	A'	667	639	0.00
4	A"	316	302	367.80
5	A"	280	268	13.72
6	E'	3979	3808	115.42
6	E'	3979	3808	115.43
7	E'	961	920	135.36
7	E'	961	920	135.37
8	E'	691	662	220.91
8	E'	691	662	220.90
9	E'	217	207	27.54
9	E'	217	207	27.53
10	E"	353	338	0.00
10	E"	353	338	0.00

Atom	x (Å)	y (Å)
Al1	0.000	0.000
O2	0.000	1.690
O3	-1.464	-0.845
O4	1.464	-0.845
H5	-0.827	2.168
H6	-1.465	-1.800
H7	2.291	-0.368

	Al1	O2	O3	O4	H5	H6	H7
Al1		1.6903	1.6903	1.6903	2.3207	2.3207	2.3207
O2	1.6903		2.9277	2.9277	0.9550	3.7853	3.0803
O3	1.6903	2.9277		2.9277	3.0803	0.9550	3.7853
O4	1.6903	2.9277	2.9277		3.7853	3.0803	0.9550
H5	2.3207	0.9550	3.0803	3.7853		4.0196	4.0196
H6	2.3207	3.7853	0.9550	3.0803	4.0196		4.0196
H7	2.3207	3.0803	3.7853	0.9550	4.0196	4.0196

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Al1	O2	H5	120.045	Al1	O3	H6	120.045
Al1	O4	H7	120.045	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: PBE1PBE/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	0.939
2	O	-0.629
3	O	-0.629
4	O	-0.629
5	H	0.316
6	H	0.316
7	H	0.316

	x	y	z
x	4.654	-0.000	0.000
y	-0.000	4.653	0.000
z	0.000	0.000	3.713

<r²>	101.462
(<r²>)^1/2	10.073

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

using model chemistry: PBE1PBE/6-31G(2df,p)

States and conformations

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