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	hartrees
Energy at 0K	-229.555260
Energy at 298.15K	-229.559050
HF Energy	-229.555260
Nuclear repulsion energy	79.877700

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	4133	4133	0.00
2	A'	721	721	0.00
3	A'	327	327	0.00
4	A"	448	448	957.98
5	A"	297	297	15.77
6	E'	4130	4130	189.81
6	E'	4130	4130	189.82
7	E'	975	975	200.60
7	E'	975	975	200.24
8	E'	380	380	391.06
8	E'	380	380	390.75
9	E'	247	247	61.43
9	E'	247	247	61.42
10	E"	392	392	0.00
10	E"	392	392	0.00

Atom	x (Å)	y (Å)
Al1	0.000	0.000
O2	0.000	1.684
O3	-1.459	-0.842
O4	1.459	-0.842
H5	-0.421	2.538
H6	-1.987	-1.634
H7	2.408	-0.904

	Al1	O2	O3	O4	H5	H6	H7
Al1		1.6843	1.6843	1.6843	2.5724	2.5724	2.5724
O2	1.6843		2.9172	2.9172	0.9518	3.8675	3.5353
O3	1.6843	2.9172		2.9172	3.5353	0.9518	3.8675
O4	1.6843	2.9172	2.9172		3.8675	3.5353	0.9518
H5	2.5724	0.9518	3.5353	3.8675		4.4555	4.4555
H6	2.5724	3.8675	0.9518	3.5353	4.4555		4.4555
H7	2.5724	3.5353	3.8675	0.9518	4.4555	4.4555

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Al1	O2	H5	153.718	Al1	O3	H6	153.718
Al1	O4	H7	153.718	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: wB97X-D/LANL2DZ

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	1.657
2	O	-0.967
3	O	-0.967
4	O	-0.967
5	H	0.415
6	H	0.415
7	H	0.415

<r²>	102.887
(<r²>)^1/2	10.143

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

using model chemistry: wB97X-D/LANL2DZ

States and conformations

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