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	hartrees
Energy at 0K	-361.896392
Energy at 298.15K	-361.886663
HF Energy	-362.189256
Nuclear repulsion energy	150.066450

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3107	2984	0.00
2	A'	3023	2903	0.00
3	A'	1491	1431	0.00
4	A'	1283	1232	0.00
5	A'	604	580	0.00
6	A'	508	488	0.00
7	A"	3080	2958	56.18
8	A"	1494	1434	4.10
9	A"	748	718	116.29
10	A"	183	176	5.65
11	A"	44	42	0.05
12	E'	3108	2985	32.83
12	E'	3108	2985	32.85
13	E'	3021	2901	11.31
13	E'	3021	2901	11.31
14	E'	1489	1430	0.67
14	E'	1489	1430	0.67
15	E'	1278	1227	33.26
15	E'	1278	1227	33.25
16	E'	781	750	163.61
16	E'	781	750	163.60
17	E'	640	615	13.17
17	E'	640	615	13.17
18	E'	170	163	3.06
18	E'	170	163	3.06
19	E"	3080	2957	0.00
19	E"	3080	2957	0.00
20	E"	1491	1432	0.00
20	E"	1491	1432	0.00
21	E"	577	554	0.00
21	E"	577	554	0.00
22	E"	20	20	0.00
22	E"	20	20	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	-0.987	0.000
C4	1.710	-0.987	0.000
H5	-1.006	2.412	0.000
H6	-1.586	-2.077	0.000
H7	2.591	-0.335	0.000
H8	0.530	2.373	0.877
H9	0.530	2.373	-0.877
H10	-2.320	-0.728	0.877
H11	-2.320	-0.728	-0.877
H12	1.790	-1.646	0.877
H13	1.790	-1.646	-0.877

	Al1	C2	C3	C4	H5	H6	H7	H8	H9	H10	H11	H12	H13
Al1		1.9748	1.9748	1.9748	2.6130	2.6130	2.6130	2.5850	2.5850	2.5850	2.5850	2.5850	2.5850
C2	1.9748		3.4204	3.4204	1.0965	4.3508	3.4713	1.0994	1.0994	3.6683	3.6683	4.1330	4.1330
C3	1.9748	3.4204		3.4204	3.4713	1.0965	4.3508	4.1330	4.1330	1.0994	1.0994	3.6683	3.6683
C4	1.9748	3.4204	3.4204		4.3508	3.4713	1.0965	3.6683	3.6683	4.1330	4.1330	1.0994	1.0994
H5	2.6130	1.0965	3.4713	4.3508		4.5258	4.5258	1.7689	1.7689	3.5146	3.5146	5.0049	5.0049
H6	2.6130	4.3508	1.0965	3.4713	4.5258		4.5258	5.0049	5.0049	1.7689	1.7689	3.5146	3.5146
H7	2.6130	3.4713	4.3508	1.0965	4.5258	4.5258		3.5146	3.5146	5.0049	5.0049	1.7689	1.7689
H8	2.5850	1.0994	4.1330	3.6683	1.7689	5.0049	3.5146		1.7539	4.2119	4.5625	4.2119	4.5625
H9	2.5850	1.0994	4.1330	3.6683	1.7689	5.0049	3.5146	1.7539		4.5625	4.2119	4.5625	4.2119
H10	2.5850	3.6683	1.0994	4.1330	3.5146	1.7689	5.0049	4.2119	4.5625		1.7539	4.2119	4.5625
H11	2.5850	3.6683	1.0994	4.1330	3.5146	1.7689	5.0049	4.5625	4.2119	1.7539		4.5625	4.2119
H12	2.5850	4.1330	3.6683	1.0994	5.0049	3.5146	1.7689	4.2119	4.5625	4.2119	4.5625		1.7539
H13	2.5850	4.1330	3.6683	1.0994	5.0049	3.5146	1.7689	4.5625	4.2119	4.5625	4.2119	1.7539

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Al1	C2	H5	113.255	Al1	C2	H8	111.193
Al1	C2	H9	111.193	Al1	C3	H6	113.255
Al1	C3	H10	111.193	Al1	C3	H11	111.193
Al1	C4	H7	113.255	Al1	C4	H12	111.193
Al1	C4	H13	111.193	C2	Al1	C3	120.000
C2	Al1	C4	120.000	C3	Al1	C4	120.000
H5	C2	H8	107.425	H5	C2	H9	107.425
H6	C3	H10	107.425	H6	C3	H11	107.425
H7	C4	H12	107.425	H7	C4	H13	107.425
H8	C2	H9	105.981	H10	C3	H11	105.981
H12	C4	H13	105.981

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

using model chemistry: G3B3

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	0.730
2	C	-0.715
3	C	-0.715
4	C	-0.715
5	H	0.159
6	H	0.159
7	H	0.159
8	H	0.156
9	H	0.156
10	H	0.156
11	H	0.156
12	H	0.156
13	H	0.156

<r²>	152.308
(<r²>)^1/2	12.341

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

using model chemistry: G3B3

States and conformations

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