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	hartrees
Energy at 0K	-470.113778
Energy at 298.15K	-470.117925
HF Energy	-470.113778
Nuclear repulsion energy	161.863716

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3993	3820	0.00
2	A'	698	667	0.00
3	A'	624	597	0.00
4	A"	324	310	395.38
5	A"	283	271	0.47
6	E'	3992	3819	118.79
6	E'	3992	3819	118.77
7	E'	918	878	178.75
7	E'	917	878	178.90
8	E'	639	611	220.15
8	E'	639	611	220.28
9	E'	223	213	30.92
9	E'	223	213	30.95
10	E"	352	337	0.00
10	E"	352	337	0.00

Atom	x (Å)	y (Å)
Al1	0.000	0.000
O2	0.000	1.695
O3	-1.468	-0.847
O4	1.468	-0.847
H5	-0.792	2.224
H6	-1.530	-1.798
H7	2.322	-0.426

	Al1	O2	O3	O4	H5	H6	H7
Al1		1.6947	1.6947	1.6947	2.3611	2.3611	2.3611
O2	1.6947		2.9353	2.9353	0.9528	3.8133	3.1451
O3	1.6947	2.9353		2.9353	3.1451	0.9528	3.8133
O4	1.6947	2.9353	2.9353		3.8133	3.1451	0.9528
H5	2.3611	0.9528	3.1451	3.8133		4.0896	4.0896
H6	2.3611	3.8133	0.9528	3.1451	4.0896		4.0896
H7	2.3611	3.1451	3.8133	0.9528	4.0896	4.0896

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Al1	O2	H5	123.770	Al1	O3	H6	123.770
Al1	O4	H7	123.770	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: wB97X-D/aug-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	1.037
2	O	-0.474
3	O	-0.474
4	O	-0.474
5	H	0.128
6	H	0.128
7	H	0.128

	x	y	z
x	5.507	0.001	0.000
y	0.001	5.508	0.000
z	0.000	0.000	4.713

<r²>	103.005
(<r²>)^1/2	10.149

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

using model chemistry: wB97X-D/aug-cc-pVTZ

States and conformations

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