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	hartrees
Energy at 0K	-361.914759
Energy at 298.15K	-361.922200
Nuclear repulsion energy	150.383461

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3145	2991	0.00
2	A'	3049	2900	0.00
3	A'	1486	1414	0.00
4	A'	1275	1212	0.00
5	A'	599	569	0.00
6	A'	515	490	0.00
7	A"	3120	2967	41.63
8	A"	1489	1416	6.44
9	A"	746	710	125.18
10	A"	182	173	5.36
11	A"	48	45	0.08
12	E'	3146	2992	25.27
12	E'	3146	2992	25.28
13	E'	3047	2898	7.99
13	E'	3047	2898	7.99
14	E'	1484	1412	1.14
14	E'	1484	1412	1.14
15	E'	1270	1208	44.99
15	E'	1270	1208	44.97
16	E'	781	742	171.42
16	E'	781	742	171.39
17	E'	646	615	9.68
17	E'	646	615	9.68
18	E'	166	158	2.83
18	E'	166	158	2.83
19	E"	3119	2967	0.00
19	E"	3119	2967	0.00
20	E"	1487	1414	0.00
20	E"	1487	1414	0.00
21	E"	574	546	0.00
21	E"	574	546	0.00
22	E"	27	26	0.00
22	E"	27	26	0.00

Atom	x (Å)	y (Å)	z (Å)
Al1	0.000	0.000	0.000
C2	0.000	1.970	0.000
C3	-1.706	-0.985	0.000
C4	1.706	-0.985	0.000
H5	-1.006	2.405	0.000
H6	-1.580	-2.073	0.000
H7	2.586	-0.331	0.000
H8	0.530	2.367	0.876
H9	0.530	2.367	-0.876
H10	-2.315	-0.725	0.876
H11	-2.315	-0.725	-0.876
H12	1.785	-1.643	0.876
H13	1.785	-1.643	-0.876

	Al1	C2	C3	C4	H5	H6	H7	H8	H9	H10	H11	H12	H13
Al1		1.9698	1.9698	1.9698	2.6067	2.6067	2.6067	2.5794	2.5794	2.5794	2.5794	2.5794	2.5794
C2	1.9698		3.4119	3.4119	1.0958	4.3410	3.4613	1.0986	1.0986	3.6591	3.6591	4.1237	4.1237
C3	1.9698	3.4119		3.4119	3.4613	1.0958	4.3410	4.1237	4.1237	1.0986	1.0986	3.6591	3.6591
C4	1.9698	3.4119	3.4119		4.3410	3.4613	1.0958	3.6591	3.6591	4.1237	4.1237	1.0986	1.0986
H5	2.6067	1.0958	3.4613	4.3410		4.5150	4.5150	1.7686	1.7686	3.5039	3.5039	4.9940	4.9940
H6	2.6067	4.3410	1.0958	3.4613	4.5150		4.5150	4.9940	4.9940	1.7686	1.7686	3.5039	3.5039
H7	2.6067	3.4613	4.3410	1.0958	4.5150	4.5150		3.5039	3.5039	4.9940	4.9940	1.7686	1.7686
H8	2.5794	1.0986	4.1237	3.6591	1.7686	4.9940	3.5039		1.7529	4.2018	4.5528	4.2018	4.5528
H9	2.5794	1.0986	4.1237	3.6591	1.7686	4.9940	3.5039	1.7529		4.5528	4.2018	4.5528	4.2018
H10	2.5794	3.6591	1.0986	4.1237	3.5039	1.7686	4.9940	4.2018	4.5528		1.7529	4.2018	4.5528
H11	2.5794	3.6591	1.0986	4.1237	3.5039	1.7686	4.9940	4.5528	4.2018	1.7529		4.5528	4.2018
H12	2.5794	4.1237	3.6591	1.0986	4.9940	3.5039	1.7686	4.2018	4.5528	4.2018	4.5528		1.7529
H13	2.5794	4.1237	3.6591	1.0986	4.9940	3.5039	1.7686	4.5528	4.2018	4.5528	4.2018	1.7529

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Al1	C2	H5	113.389	Al1	C2	H8	111.212
Al1	C2	H9	111.212	Al1	C3	H6	113.389
Al1	C3	H10	111.212	Al1	C3	H11	111.212
Al1	C4	H7	113.389	Al1	C4	H12	111.212
Al1	C4	H13	111.212	C2	Al1	C3	120.000
C2	Al1	C4	120.000	C3	Al1	C4	120.000
H5	C2	H8	107.401	H5	C2	H9	107.401
H6	C3	H10	107.401	H6	C3	H11	107.401
H7	C4	H12	107.401	H7	C4	H13	107.401
H8	C2	H9	105.838	H10	C3	H11	105.838
H12	C4	H13	105.838

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

using model chemistry: HSEh1PBE/6-31G*

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	0.769
2	C	-0.804
3	C	-0.804
4	C	-0.804
5	H	0.184
6	H	0.184
7	H	0.184
8	H	0.182
9	H	0.182
10	H	0.182
11	H	0.182
12	H	0.182
13	H	0.182

	x	y	z
x	8.601	-0.000	0.000
y	-0.000	8.601	0.000
z	0.000	0.000	6.652

<r²>	151.527
(<r²>)^1/2	12.310

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

using model chemistry: HSEh1PBE/6-31G*

States and conformations

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