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	hartrees
Energy at 0K	-470.191139
Energy at 298.15K	-470.195314
HF Energy	-470.191139
Nuclear repulsion energy	161.810198

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3894	3894	0.00
2	A'	706	706	0.00
3	A'	635	635	0.00
4	A"	320	320	354.27
5	A"	281	281	7.94
6	E'	3893	3893	95.69
6	E'	3893	3893	95.62
7	E'	933	933	147.54
7	E'	933	933	147.61
8	E'	651	651	213.59
8	E'	651	651	213.65
9	E'	219	219	28.02
9	E'	219	219	28.00
10	E"	360	360	0.00
10	E"	360	360	0.00

Atom	x (Å)	y (Å)
Al1	0.000	0.000
O2	0.000	1.695
O3	-1.468	-0.848
O4	1.468	-0.848
H5	-0.812	2.205
H6	-1.503	-1.806
H7	2.316	-0.399

	Al1	O2	O3	O4	H5	H6	H7
Al1		1.6952	1.6952	1.6952	2.3500	2.3500	2.3500
O2	1.6952		2.9362	2.9362	0.9592	3.8105	3.1223
O3	1.6952	2.9362		2.9362	3.1223	0.9592	3.8105
O4	1.6952	2.9362	2.9362		3.8105	3.1223	0.9592
H5	2.3500	0.9592	3.1223	3.8105		4.0703	4.0703
H6	2.3500	3.8105	0.9592	3.1223	4.0703		4.0703
H7	2.3500	3.1223	3.8105	0.9592	4.0703	4.0703

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Al1	O2	H5	122.112	Al1	O3	H6	122.112
Al1	O4	H7	122.112	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: TPSSh/cc-pV(T+d)Z

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	0.660
2	O	-0.428
3	O	-0.428
4	O	-0.428
5	H	0.208
6	H	0.208
7	H	0.208

	x	y	z
x	5.106	-0.001	0.000
y	-0.001	5.105	0.000
z	0.000	0.000	4.158

<r²>	102.580
(<r²>)^1/2	10.128

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

using model chemistry: TPSSh/cc-pV(T+d)Z

States and conformations

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