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	hartrees
Energy at 0K	-467.061646
Energy at 298.15K	-467.065283
HF Energy	-467.061646
Nuclear repulsion energy	159.121808

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3564	3531	0.00
2	A'	735	729	0.00
3	A'	549	544	0.00
4	A"	235	233	52.03
5	A"	195	193	477.59
6	E'	3568	3535	33.53
6	E'	3568	3535	33.53
7	E'	978	969	53.84
7	E'	978	969	53.84
8	E'	579	574	263.27
8	E'	579	574	263.26
9	E'	251	248	27.52
9	E'	251	248	27.52
10	E"	245	243	0.00
10	E"	245	243	0.00

Atom	x (Å)	y (Å)
Al1	0.000	0.000
O2	0.000	1.719
O3	-1.488	-0.859
O4	1.488	-0.859
H5	-0.814	2.284
H6	-1.571	-1.847
H7	2.385	-0.437

	Al1	O2	O3	O4	H5	H6	H7
Al1		1.7186	1.7186	1.7186	2.4242	2.4242	2.4242
O2	1.7186		2.9767	2.9767	0.9908	3.8959	3.2143
O3	1.7186	2.9767		2.9767	3.2143	0.9908	3.8959
O4	1.7186	2.9767	2.9767		3.8959	3.2143	0.9908
H5	2.4242	0.9908	3.2143	3.8959		4.1989	4.1989
H6	2.4242	3.8959	0.9908	3.2143	4.1989		4.1989
H7	2.4242	3.2143	3.8959	0.9908	4.1989	4.1989

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Al1	O2	H5	124.762	Al1	O3	H6	124.762
Al1	O4	H7	124.762	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: PBEPBEultrafine/3-21G

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	0.973
2	O	-0.698
3	O	-0.698
4	O	-0.698
5	H	0.374
6	H	0.374
7	H	0.374

<r²>	105.314
(<r²>)^1/2	10.262

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

using model chemistry: PBEPBEultrafine/3-21G

States and conformations

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