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	hartrees
Energy at 0K	-463.874663
Energy at 298.15K	-463.878826
HF Energy	-463.874663
Nuclear repulsion energy	161.514992

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3803	3342	0.00
2	A'	1021	898	0.00
3	A'	720	633	0.00
4	A"	337	297	149.63
5	A"	239	210	66.75
6	E'	3811	3349	67.87
6	E'	3811	3349	67.86
7	E'	1124	988	57.35
7	E'	1124	988	57.35
8	E'	947	832	113.24
8	E'	947	832	113.23
9	E'	215	189	21.89
9	E'	215	189	21.89
10	E"	360	316	0.00
10	E"	360	316	0.00

Atom	x (Å)	y (Å)
Al1	0.000	0.000
O2	0.000	1.704
O3	-1.475	-0.852
O4	1.475	-0.852
H5	-0.982	1.962
H6	-1.208	-1.832
H7	2.190	-0.131

	Al1	O2	O3	O4	H5	H6	H7
Al1		1.7037	1.7037	1.7037	2.1943	2.1943	2.1943
O2	1.7037		2.9509	2.9509	1.0154	3.7361	2.8571
O3	1.7037	2.9509		2.9509	2.8571	1.0154	3.7361
O4	1.7037	2.9509	2.9509		3.7361	2.8571	1.0154
H5	2.1943	1.0154	2.8571	3.7361		3.8006	3.8006
H6	2.1943	3.7361	1.0154	2.8571	3.8006		3.8006
H7	2.1943	2.8571	3.7361	1.0154	3.8006	3.8006

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Al1	O2	H5	104.753	Al1	O3	H6	104.753
Al1	O4	H7	104.753	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: mPW1PW91/STO-3G

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	0.900
2	O	-0.438
3	O	-0.438
4	O	-0.438
5	H	0.138
6	H	0.138
7	H	0.138

<r²>	99.986
(<r²>)^1/2	9.999

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

using model chemistry: mPW1PW91/STO-3G

States and conformations

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