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	hartrees
Energy at 0K	-468.549753
Energy at 298.15K	-468.554108
HF Energy	-468.549753
Nuclear repulsion energy	163.456338

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'	4245	3840	0.00	152.06	0.06	0.11
2	A'	745	674	0.00	9.14	0.02	0.03
3	A'	637	576	0.00	0.22	0.01	0.01
4	A"	367	332	503.19	0.00	0.00	0.00
5	A"	303	274	0.05	0.00	0.00	0.00
6	E'	4243	3838	173.93	28.95	0.75	0.86
6	E'	4243	3838	173.93	28.95	0.75	0.86
7	E'	983	889	215.56	0.67	0.75	0.86
7	E'	983	889	215.56	0.67	0.75	0.86
8	E'	646	584	263.09	0.25	0.75	0.86
8	E'	646	584	263.09	0.25	0.75	0.86
9	E'	242	219	35.82	0.31	0.75	0.86
9	E'	242	219	35.82	0.31	0.75	0.86
10	E"	374	338	0.00	0.08	0.75	0.86
10	E"	374	338	0.00	0.08	0.75	0.86

Atom	x (Å)	y (Å)
Al1	0.000	0.000
O2	0.000	1.677
O3	-1.453	-0.839
O4	1.453	-0.839
H5	-0.746	2.243
H6	-1.569	-1.768
H7	2.315	-0.475

	Al1	O2	O3	O4	H5	H6	H7
Al1		1.6774	1.6774	1.6774	2.3637	2.3637	2.3637
O2	1.6774		2.9053	2.9053	0.9362	3.7856	3.1615
O3	1.6774	2.9053		2.9053	3.1615	0.9362	3.7856
O4	1.6774	2.9053	2.9053		3.7856	3.1615	0.9362
H5	2.3637	0.9362	3.1615	3.7856		4.0940	4.0940
H6	2.3637	3.7856	0.9362	3.1615	4.0940		4.0940
H7	2.3637	3.1615	3.7856	0.9362	4.0940	4.0940

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Al1	O2	H5	127.153	Al1	O3	H6	127.153
Al1	O4	H7	127.153	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/daug-cc-pVTZ

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	1.202
2	O	-0.875
3	O	-0.875
4	O	-0.875
5	H	0.474
6	H	0.474
7	H	0.474

<r²>	101.370
(<r²>)^1/2	10.068

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

using model chemistry: HF/daug-cc-pVTZ

States and conformations

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