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	hartrees
Energy at 0K	-362.200463
Energy at 298.15K
HF Energy	-362.200463
Nuclear repulsion energy	151.126867

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3118	2982	0.00
2	A'	3030	2899	0.00
3	A'	1445	1382	0.00
4	A'	1232	1179	0.00
5	A'	588	563	0.00
6	A'	530	507	0.00
7	A"	3094	2960	44.33
8	A"	1460	1397	4.35
9	A"	717	686	89.37
10	A"	185	177	7.84
11	A"	116i	111i	0.00
12	E'	3118	2983	27.24
12	E'	3118	2983	27.20
13	E'	3029	2898	12.99
13	E'	3029	2898	13.02
14	E'	1443	1381	0.73
14	E'	1443	1381	0.72
15	E'	1231	1178	46.78
15	E'	1231	1178	46.81
16	E'	759	726	162.86
16	E'	759	726	162.86
17	E'	652	623	7.62
17	E'	652	623	7.61
18	E'	162	155	4.64
18	E'	162	155	4.62
19	E"	3093	2959	0.00
19	E"	3093	2959	0.00
20	E"	1458	1395	0.00
20	E"	1458	1395	0.00
21	E"	557	533	0.00
21	E"	557	533	0.00
22	E"	117i	112i	0.00
22	E"	117i	112i	0.00

Atom	x (Å)	y (Å)	z (Å)
Al1	0.000	0.000	0.000
C2	0.000	1.961	0.000
C3	-1.698	-0.980	0.000
C4	1.698	-0.980	0.000
H5	-1.003	2.390	0.000
H6	-1.568	-2.064	0.000
H7	2.571	-0.326	0.000
H8	0.528	2.353	0.874
H9	0.528	2.353	-0.874
H10	-2.302	-0.719	0.874
H11	-2.302	-0.719	-0.874
H12	1.774	-1.634	0.874
H13	1.774	-1.634	-0.874

	Al1	C2	C3	C4	H5	H6	H7	H8	H9	H10	H11	H12	H13
Al1		1.9609	1.9609	1.9609	2.5919	2.5919	2.5919	2.5653	2.5653	2.5653	2.5653	2.5653	2.5653
C2	1.9609		3.3965	3.3965	1.0912	4.3194	3.4411	1.0938	1.0938	3.6397	3.6397	4.1029	4.1029
C3	1.9609	3.3965		3.3965	3.4411	1.0912	4.3194	4.1029	4.1029	1.0938	1.0938	3.6397	3.6397
C4	1.9609	3.3965	3.3965		4.3194	3.4411	1.0912	3.6397	3.6397	4.1029	4.1029	1.0938	1.0938
H5	2.5919	1.0912	3.4411	4.3194		4.4892	4.4892	1.7636	1.7636	3.4810	3.4810	4.9667	4.9667
H6	2.5919	4.3194	1.0912	3.4411	4.4892		4.4892	4.9667	4.9667	1.7636	1.7636	3.4810	3.4810
H7	2.5919	3.4411	4.3194	1.0912	4.4892	4.4892		3.4810	3.4810	4.9667	4.9667	1.7636	1.7636
H8	2.5653	1.0938	4.1029	3.6397	1.7636	4.9667	3.4810		1.7477	4.1775	4.5283	4.1775	4.5283
H9	2.5653	1.0938	4.1029	3.6397	1.7636	4.9667	3.4810	1.7477		4.5283	4.1775	4.5283	4.1775
H10	2.5653	3.6397	1.0938	4.1029	3.4810	1.7636	4.9667	4.1775	4.5283		1.7477	4.1775	4.5283
H11	2.5653	3.6397	1.0938	4.1029	3.4810	1.7636	4.9667	4.5283	4.1775	1.7477		4.5283	4.1775
H12	2.5653	4.1029	3.6397	1.0938	4.9667	3.4810	1.7636	4.1775	4.5283	4.1775	4.5283		1.7477
H13	2.5653	4.1029	3.6397	1.0938	4.9667	3.4810	1.7636	4.5283	4.1775	4.5283	4.1775	1.7477

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Al1	C2	H5	113.139	Al1	C2	H8	111.025
Al1	C2	H9	111.025	Al1	C3	H6	113.139
Al1	C3	H10	111.026	Al1	C3	H11	111.026
Al1	C4	H7	113.139	Al1	C4	H12	111.025
Al1	C4	H13	111.025	C2	Al1	C3	120.000
C2	Al1	C4	120.000	C3	Al1	C4	120.000
H5	C2	H8	107.632	H5	C2	H9	107.632
H6	C3	H10	107.632	H6	C3	H11	107.632
H7	C4	H12	107.632	H7	C4	H13	107.632
H8	C2	H9	106.053	H10	C3	H11	106.053
H12	C4	H13	106.053

All results from a given calculation for Al(CH₃)₃ (trimethyl aluminum)

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	0.404
2	C	-0.789
3	C	-0.789
4	C	-0.789
5	H	0.285
6	H	0.285
7	H	0.285
8	H	0.185
9	H	0.185
10	H	0.185
11	H	0.185
12	H	0.185
13	H	0.185

	x	y	z
x	10.492	0.001	0.000
y	0.001	10.491	0.000
z	0.000	0.000	8.148

<r²>	150.789
(<r²>)^1/2	12.280

All results from a given calculation for Al(CH3)3 (trimethyl aluminum)

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

States and conformations

All results from a given calculation for Al(CH₃)₃ (trimethyl aluminum)