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	hartrees
Energy at 0K	-469.946097
Energy at 298.15K	-469.950306
HF Energy	-469.682364
Nuclear repulsion energy	161.993987

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3933	3933	0.11
2	A'	711	711	0.00
3	A'	639	639	0.00
4	A"	320	320	384.94
5	A"	287	287	2.37
6	E'	3932	3932	118.46
6	E'	3932	3932	118.51
7	E'	942	942	154.52
7	E'	942	942	154.55
8	E'	653	653	217.13
8	E'	653	653	217.14
9	E'	224	224	29.70
9	E'	224	224	29.69
10	E"	356	356	0.00
10	E"	356	356	0.00

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	-0.807	2.206
H6	-1.507	-1.802
H7	2.314	-0.404

	Al1	O2	O3	O4	H5	H6	H7
Al1		1.6936	1.6936	1.6936	2.3487	2.3487	2.3487
O2	1.6936		2.9334	2.9334	0.9557	3.8062	3.1231
O3	1.6936	2.9334		2.9334	3.1231	0.9557	3.8062
O4	1.6936	2.9334	2.9334		3.8062	3.1231	0.9557
H5	2.3487	0.9557	3.1231	3.8062		4.0680	4.0680
H6	2.3487	3.8062	0.9557	3.1231	4.0680		4.0680
H7	2.3487	3.1231	3.8062	0.9557	4.0680	4.0680

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Al1	O2	H5	122.407	Al1	O3	H6	122.407
Al1	O4	H7	122.407	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/cc-pCVTZ

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	0.636
2	O	-0.414
3	O	-0.414
4	O	-0.414
5	H	0.202
6	H	0.202
7	H	0.202

<r²>	102.561
(<r²>)^1/2	10.127

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

using model chemistry: B2PLYP/cc-pCVTZ

States and conformations

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