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	hartrees
Energy at 0K	-362.081208
Energy at 298.15K	-362.088456
HF Energy	-362.081208
Nuclear repulsion energy	148.734423

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3017	3022	0.00
2	A'	2930	2934	0.00
3	A'	1388	1390	0.00
4	A'	1183	1185	0.00
5	A'	584	585	0.00
6	A'	485	486	0.00
7	A"	2984	2989	45.93
8	A"	1394	1396	1.33
9	A"	699	700	88.11
10	A"	177	177	4.25
11	A"	51	51	0.04
12	E'	3018	3023	29.82
12	E'	3018	3023	29.83
13	E'	2927	2932	15.53
13	E'	2927	2932	15.53
14	E'	1386	1388	0.34
14	E'	1386	1388	0.34
15	E'	1178	1180	13.33
15	E'	1178	1180	13.32
16	E'	736	738	148.28
16	E'	736	738	148.28
17	E'	614	615	18.40
17	E'	614	615	18.40
18	E'	164	164	3.31
18	E'	164	164	3.31
19	E"	2984	2989	0.00
19	E"	2984	2989	0.00
20	E"	1390	1392	0.00
20	E"	1390	1392	0.00
21	E"	541	542	0.00
21	E"	541	542	0.00
22	E"	22	22	0.00
22	E"	22	22	0.00

Atom	x (Å)	y (Å)	z (Å)
Al1	0.000	0.000	0.000
C2	0.000	1.990	0.000
C3	-1.723	-0.995	0.000
C4	1.723	-0.995	0.000
H5	-1.014	2.443	0.000
H6	-1.609	-2.099	0.000
H7	2.622	-0.344	0.000
H8	0.544	2.387	0.887
H9	0.544	2.387	-0.887
H10	-2.340	-0.723	0.887
H11	-2.340	-0.723	-0.887
H12	1.796	-1.665	0.887
H13	1.796	-1.665	-0.887

	Al1	C2	C3	C4	H5	H6	H7	H8	H9	H10	H11	H12	H13
Al1		1.9900	1.9900	1.9900	2.6446	2.6446	2.6446	2.6043	2.6043	2.6043	2.6043	2.6043	2.6043
C2	1.9900		3.4468	3.4468	1.1100	4.3941	3.5102	1.1138	1.1138	3.6903	3.6903	4.1675	4.1675
C3	1.9900	3.4468		3.4468	3.5102	1.1100	4.3941	4.1675	4.1675	1.1138	1.1138	3.6903	3.6903
C4	1.9900	3.4468	3.4468		4.3941	3.5102	1.1100	3.6903	3.6903	4.1675	4.1675	1.1138	1.1138
H5	2.6446	1.1100	3.5102	4.3941		4.5805	4.5805	1.7932	1.7932	3.5445	3.5445	5.0546	5.0546
H6	2.6446	4.3941	1.1100	3.5102	4.5805		4.5805	5.0546	5.0546	1.7932	1.7932	3.5445	3.5445
H7	2.6446	3.5102	4.3941	1.1100	4.5805	4.5805		3.5445	3.5445	5.0546	5.0546	1.7932	1.7932
H8	2.6043	1.1138	4.1675	3.6903	1.7932	5.0546	3.5445		1.7739	4.2411	4.5971	4.2411	4.5971
H9	2.6043	1.1138	4.1675	3.6903	1.7932	5.0546	3.5445	1.7739		4.5971	4.2411	4.5971	4.2411
H10	2.6043	3.6903	1.1138	4.1675	3.5445	1.7932	5.0546	4.2411	4.5971		1.7739	4.2411	4.5971
H11	2.6043	3.6903	1.1138	4.1675	3.5445	1.7932	5.0546	4.5971	4.2411	1.7739		4.5971	4.2411
H12	2.6043	4.1675	3.6903	1.1138	5.0546	3.5445	1.7932	4.2411	4.5971	4.2411	4.5971		1.7739
H13	2.6043	4.1675	3.6903	1.1138	5.0546	3.5445	1.7932	4.5971	4.2411	4.5971	4.2411	1.7739

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Al1	C2	H5	114.064	Al1	C2	H8	110.905
Al1	C2	H9	110.905	Al1	C3	H6	114.064
Al1	C3	H10	110.905	Al1	C3	H11	110.905
Al1	C4	H7	114.064	Al1	C4	H12	110.905
Al1	C4	H13	110.905	C2	Al1	C3	120.000
C2	Al1	C4	120.000	C3	Al1	C4	120.000
H5	C2	H8	107.485	H5	C2	H9	107.485
H6	C3	H10	107.485	H6	C3	H11	107.485
H7	C4	H12	107.485	H7	C4	H13	107.485
H8	C2	H9	105.563	H10	C3	H11	105.563
H12	C4	H13	105.563

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

using model chemistry: BLYP/cc-pVDZ

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	0.336
2	C	-0.162
3	C	-0.162
4	C	-0.162
5	H	0.015
6	H	0.015
7	H	0.015
8	H	0.017
9	H	0.017
10	H	0.017
11	H	0.017
12	H	0.017
13	H	0.017

<r²>	154.914
(<r²>)^1/2	12.446

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

using model chemistry: BLYP/cc-pVDZ

States and conformations

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