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	hartrees
Energy at 0K	-468.446468
Energy at 298.15K	-468.450881
HF Energy	-468.446468
Nuclear repulsion energy	163.767236

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)	Raman Act (Å⁴/u)	Dep P	Dep U
1	A'	4258	3856	0.00	129.94	0.09	0.17
2	A'	753	682	0.00	5.44	0.04	0.08
3	A'	678	614	0.00	0.69	0.00	0.00
4	A"	369	334	504.09	0.00	0.75	0.86
5	A"	299	271	4.47	0.00	0.00	0.00
6	E'	4256	3853	162.50	35.74	0.75	0.86
6	E'	4256	3853	162.50	35.74	0.75	0.86
7	E'	997	903	182.07	0.86	0.75	0.86
7	E'	997	903	182.07	0.86	0.75	0.86
8	E'	691	626	276.79	0.88	0.75	0.86
8	E'	691	626	276.79	0.88	0.75	0.86
9	E'	234	211	33.47	0.46	0.75	0.86
9	E'	234	211	33.47	0.46	0.75	0.86
10	E"	378	342	0.00	0.63	0.75	0.86
10	E"	378	342	0.00	0.63	0.75	0.86

Atom	x (Å)	y (Å)
Al1	0.000	0.000
O2	0.000	1.676
O3	-1.451	-0.838
O4	1.451	-0.838
H5	-0.774	2.204
H6	-1.522	-1.772
H7	2.295	-0.432

	Al1	O2	O3	O4	H5	H6	H7
Al1		1.6757	1.6757	1.6757	2.3356	2.3356	2.3356
O2	1.6757		2.9024	2.9024	0.9367	3.7685	3.1162
O3	1.6757	2.9024		2.9024	3.1162	0.9367	3.7685
O4	1.6757	2.9024	2.9024		3.7685	3.1162	0.9367
H5	2.3356	0.9367	3.1162	3.7685		4.0454	4.0454
H6	2.3356	3.7685	0.9367	3.1162	4.0454		4.0454
H7	2.3356	3.1162	3.7685	0.9367	4.0454	4.0454

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Al1	O2	H5	124.315	Al1	O3	H6	124.315
Al1	O4	H7	124.315	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: HF/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	1.435
2	O	-0.814
3	O	-0.814
4	O	-0.814
5	H	0.336
6	H	0.336
7	H	0.336

<r²>	100.397
(<r²>)^1/2	10.020

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

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

States and conformations

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