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	hartrees
Energy at 0K	-24.368497
Energy at 298.15K	-24.376154
HF Energy	-24.368497
Nuclear repulsion energy	55.573404

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3060	2982	0.00
2	A'	2957	2881	0.00
3	A'	1486	1448	0.00
4	A'	1297	1264	0.00
5	A'	652	636	0.00
6	A'	504	491	0.00
7	A"	3029	2952	95.60
8	A"	1487	1449	16.67
9	A"	795	775	118.15
10	A"	185	181	8.79
11	A"	47	46	0.12
12	E'	3061	2983	56.16
12	E'	3061	2983	56.14
13	E'	2954	2879	35.20
13	E'	2954	2879	35.19
14	E'	1484	1446	4.49
14	E'	1484	1446	4.49
15	E'	1294	1261	69.87
15	E'	1294	1261	69.86
16	E'	815	795	160.13
16	E'	815	795	160.11
17	E'	647	630	26.66
17	E'	647	630	26.66
18	E'	168	164	5.76
18	E'	168	164	5.76
19	E"	3029	2952	0.00
19	E"	3029	2952	0.00
20	E"	1485	1448	0.00
20	E"	1485	1448	0.00
21	E"	633	617	0.00
21	E"	633	617	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	1.984	0.000
C3	-1.718	-0.992	0.000
C4	1.718	-0.992	0.000
H5	-1.012	2.413	0.000
H6	-1.584	-2.083	0.000
H7	2.596	-0.330	0.000
H8	0.530	2.386	0.880
H9	0.530	2.386	-0.880
H10	-2.331	-0.734	0.880
H11	-2.331	-0.734	-0.880
H12	1.801	-1.652	0.880
H13	1.801	-1.652	-0.880

	Al1	C2	C3	C4	H5	H6	H7	H8	H9	H10	H11	H12	H13
Al1		1.9839	1.9839	1.9839	2.6167	2.6167	2.6167	2.5973	2.5973	2.5973	2.5973	2.5973	2.5973
C2	1.9839		3.4362	3.4362	1.0994	4.3644	3.4773	1.1030	1.1030	3.6870	3.6870	4.1515	4.1515
C3	1.9839	3.4362		3.4362	3.4773	1.0994	4.3644	4.1515	4.1515	1.1030	1.1030	3.6870	3.6870
C4	1.9839	3.4362	3.4362		4.3644	3.4773	1.0994	3.6870	3.6870	4.1515	4.1515	1.1030	1.1030
H5	2.6167	1.0994	3.4773	4.3644		4.5322	4.5322	1.7758	1.7758	3.5237	3.5237	5.0209	5.0209
H6	2.6167	4.3644	1.0994	3.4773	4.5322		4.5322	5.0209	5.0209	1.7758	1.7758	3.5237	3.5237
H7	2.6167	3.4773	4.3644	1.0994	4.5322	4.5322		3.5237	3.5237	5.0209	5.0209	1.7758	1.7758
H8	2.5973	1.1030	4.1515	3.6870	1.7758	5.0209	3.5237		1.7602	4.2326	4.5840	4.2326	4.5840
H9	2.5973	1.1030	4.1515	3.6870	1.7758	5.0209	3.5237	1.7602		4.5840	4.2326	4.5840	4.2326
H10	2.5973	3.6870	1.1030	4.1515	3.5237	1.7758	5.0209	4.2326	4.5840		1.7602	4.2326	4.5840
H11	2.5973	3.6870	1.1030	4.1515	3.5237	1.7758	5.0209	4.5840	4.2326	1.7602		4.5840	4.2326
H12	2.5973	4.1515	3.6870	1.1030	5.0209	3.5237	1.7758	4.2326	4.5840	4.2326	4.5840		1.7602
H13	2.5973	4.1515	3.6870	1.1030	5.0209	3.5237	1.7758	4.5840	4.2326	4.5840	4.2326	1.7602

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Al1	C2	H5	112.973	Al1	C2	H8	111.356
Al1	C2	H9	111.356	Al1	C3	H6	112.973
Al1	C3	H10	111.356	Al1	C3	H11	111.356
Al1	C4	H7	112.973	Al1	C4	H12	111.356
Al1	C4	H13	111.356	C2	Al1	C3	120.000
C2	Al1	C4	120.000	C3	Al1	C4	120.000
H5	C2	H8	107.465	H5	C2	H9	107.465
H6	C3	H10	107.465	H6	C3	H11	107.465
H7	C4	H12	107.465	H7	C4	H13	107.465
H8	C2	H9	105.860	H10	C3	H11	105.860
H12	C4	H13	105.860

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

using model chemistry: B3LYP/CEP-121G

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	1.114
2	C	-0.851
3	C	-0.851
4	C	-0.851
5	H	0.159
6	H	0.159
7	H	0.159
8	H	0.160
9	H	0.160
10	H	0.160
11	H	0.160
12	H	0.160
13	H	0.160

<r²>	129.789
(<r²>)^1/2	11.393

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

using model chemistry: B3LYP/CEP-121G

States and conformations

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