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	hartrees
Energy at 0K	-469.592081
Energy at 298.15K	-469.595863
HF Energy	-469.592081
Nuclear repulsion energy	160.370508

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	4000	3824	0.00
2	A'	731	699	0.00
3	A'	431	412	0.00
4	A"	382	366	844.63
5	A"	279	267	3.36
6	E'	4000	3824	142.28
6	E'	4000	3824	142.29
7	E'	980	937	125.35
7	E'	980	937	125.30
8	E'	420	401	349.10
8	E'	419	401	349.05
9	E'	234	224	69.08
9	E'	234	224	69.10
10	E"	348	332	0.00
10	E"	348	332	0.00

Atom	x (Å)	y (Å)
Al1	0.000	0.000
O2	0.000	1.701
O3	-1.473	-0.851
O4	1.473	-0.851
H5	-0.599	2.445
H6	-1.818	-1.742
H7	2.417	-0.703

	Al1	O2	O3	O4	H5	H6	H7
Al1		1.7013	1.7013	1.7013	2.5175	2.5175	2.5175
O2	1.7013		2.9467	2.9467	0.9553	3.8934	3.4097
O3	1.7013	2.9467		2.9467	3.4097	0.9553	3.8934
O4	1.7013	2.9467	2.9467		3.8934	3.4097	0.9553
H5	2.5175	0.9553	3.4097	3.8934		4.3605	4.3605
H6	2.5175	3.8934	0.9553	3.4097	4.3605		4.3605
H7	2.5175	3.4097	3.8934	0.9553	4.3605	4.3605

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Al1	O2	H5	141.139	Al1	O3	H6	141.139
Al1	O4	H7	141.139	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

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	1.529
2	O	-0.929
3	O	-0.929
4	O	-0.929
5	H	0.419
6	H	0.419
7	H	0.419

	x	y	z
x	4.183	-0.000	0.000
y	-0.000	4.183	0.000
z	0.000	0.000	2.317

<r²>	104.853
(<r²>)^1/2	10.240

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

using model chemistry: PBE1PBE/6-31G

States and conformations

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