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	hartrees
Energy at 0K	-469.935369
Energy at 298.15K	-469.939550
HF Energy	-469.674392
Nuclear repulsion energy	161.852782

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3963	3963	0.39
2	A'	706	706	0.00
3	A'	633	633	220.81
4	A"	328	328	391.19
5	A"	292	292	8.78
6	E'	3961	3961	127.29
6	E'	3961	3961	127.11
7	E'	933	933	174.58
7	E'	933	933	174.55
8	E'	632	632	221.10
8	E'	623	623	0.43
9	E'	225	225	30.50
9	E'	224	224	30.54
10	E"	362	362	0.10
10	E"	361	361	0.03

Atom	x (Å)	y (Å)
Al1	0.000	0.000
O2	0.000	1.694
O3	-1.467	-0.847
O4	1.467	-0.847
H5	-0.791	2.229
H6	-1.535	-1.800
H7	2.326	-0.429

	Al1	O2	O3	O4	H5	H6	H7
Al1		1.6942	1.6942	1.6942	2.3651	2.3651	2.3651
O2	1.6942		2.9344	2.9344	0.9549	3.8160	3.1493
O3	1.6942	2.9344		2.9344	3.1493	0.9549	3.8160
O4	1.6942	2.9344	2.9344		3.8160	3.1493	0.9549
H5	2.3651	0.9549	3.1493	3.8160		4.0965	4.0965
H6	2.3651	3.8160	0.9549	3.1493	4.0965		4.0965
H7	2.3651	3.1493	3.8160	0.9549	4.0965	4.0965

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Al1	O2	H5	124.046	Al1	O3	H6	124.046
Al1	O4	H7	124.046	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: B2PLYP/6-311+G(3df,2p)

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	1.290
2	O	-0.667
3	O	-0.667
4	O	-0.667
5	H	0.237
6	H	0.237
7	H	0.237

<r²>	103.174
(<r²>)^1/2	10.157

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

using model chemistry: B2PLYP/6-311+G(3df,2p)

States and conformations

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