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	hartrees
Energy at 0K	-362.184153
Energy at 298.15K	-362.191850
HF Energy	-362.184153
Nuclear repulsion energy	149.988816

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3116	2996	0.00
2	A'	3011	2895	0.00
3	A'	1491	1433	0.00
4	A'	1308	1258	0.00
5	A'	667	641	0.00
6	A'	519	499	0.00
7	A"	3087	2967	76.40
8	A"	1489	1432	19.72
9	A"	809	778	142.36
10	A"	187	180	8.49
11	A"	53	51	0.20
12	E'	3117	2997	46.05
12	E'	3117	2997	46.06
13	E'	3009	2893	27.60
13	E'	3009	2893	27.60
14	E'	1486	1428	5.70
14	E'	1486	1428	5.71
15	E'	1304	1253	85.53
15	E'	1304	1253	85.55
16	E'	833	801	180.10
16	E'	833	801	180.11
17	E'	661	635	19.22
17	E'	661	635	19.22
18	E'	174	167	4.75
18	E'	174	167	4.75
19	E"	3087	2967	0.00
19	E"	3087	2967	0.00
20	E"	1488	1431	0.00
20	E"	1488	1431	0.00
21	E"	646	621	0.00
21	E"	646	621	0.00
22	E"	28	27	0.00
22	E"	28	27	0.00

Atom	x (Å)	y (Å)	z (Å)
Al1	0.000	0.000	0.000
C2	0.000	1.975	0.000
C3	-1.710	-0.988	0.000
C4	1.710	-0.988	0.000
H5	-1.014	2.399	0.000
H6	-1.571	-2.078	0.000
H7	2.585	-0.322	0.000
H8	0.527	2.377	0.881
H9	0.527	2.377	-0.881
H10	-2.322	-0.732	0.881
H11	-2.322	-0.732	-0.881
H12	1.795	-1.645	0.881
H13	1.795	-1.645	-0.881

	Al1	C2	C3	C4	H5	H6	H7	H8	H9	H10	H11	H12	H13
Al1		1.9750	1.9750	1.9750	2.6045	2.6045	2.6045	2.5893	2.5893	2.5893	2.5893	2.5893	2.5893
C2	1.9750		3.4208	3.4208	1.0989	4.3463	3.4575	1.1022	1.1022	3.6740	3.6740	4.1356	4.1356
C3	1.9750	3.4208		3.4208	3.4575	1.0989	4.3463	4.1356	4.1356	1.1022	1.1022	3.6740	3.6740
C4	1.9750	3.4208	3.4208		4.3463	3.4575	1.0989	3.6740	3.6740	4.1356	4.1356	1.1022	1.1022
H5	2.6045	1.0989	3.4575	4.3463		4.5111	4.5111	1.7747	1.7747	3.5062	3.5062	5.0021	5.0021
H6	2.6045	4.3463	1.0989	3.4575	4.5111		4.5111	5.0021	5.0021	1.7747	1.7747	3.5062	3.5062
H7	2.6045	3.4575	4.3463	1.0989	4.5111	4.5111		3.5062	3.5062	5.0021	5.0021	1.7747	1.7747
H8	2.5893	1.1022	4.1356	3.6740	1.7747	5.0021	3.5062		1.7611	4.2175	4.5705	4.2175	4.5705
H9	2.5893	1.1022	4.1356	3.6740	1.7747	5.0021	3.5062	1.7611		4.5705	4.2175	4.5705	4.2175
H10	2.5893	3.6740	1.1022	4.1356	3.5062	1.7747	5.0021	4.2175	4.5705		1.7611	4.2175	4.5705
H11	2.5893	3.6740	1.1022	4.1356	3.5062	1.7747	5.0021	4.5705	4.2175	1.7611		4.5705	4.2175
H12	2.5893	4.1356	3.6740	1.1022	5.0021	3.5062	1.7747	4.2175	4.5705	4.2175	4.5705		1.7611
H13	2.5893	4.1356	3.6740	1.1022	5.0021	3.5062	1.7747	4.5705	4.2175	4.5705	4.2175	1.7611

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Al1	C2	H5	112.698	Al1	C2	H8	111.408
Al1	C2	H9	111.408	Al1	C3	H6	112.698
Al1	C3	H10	111.408	Al1	C3	H11	111.408
Al1	C4	H7	112.698	Al1	C4	H12	111.408
Al1	C4	H13	111.408	C2	Al1	C3	120.000
C2	Al1	C4	120.000	C3	Al1	C4	120.000
H5	C2	H8	107.466	H5	C2	H9	107.466
H6	C3	H10	107.466	H6	C3	H11	107.466
H7	C4	H12	107.466	H7	C4	H13	107.466
H8	C2	H9	106.054	H10	C3	H11	106.054
H12	C4	H13	106.054

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

using model chemistry: B3LYP/SDD

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	1.398
2	C	-1.144
3	C	-1.144
4	C	-1.144
5	H	0.224
6	H	0.224
7	H	0.224
8	H	0.227
9	H	0.227
10	H	0.227
11	H	0.227
12	H	0.227
13	H	0.227

<r²>	152.790
(<r²>)^1/2	12.361

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

using model chemistry: B3LYP/SDD

States and conformations

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