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	hartrees
Energy at 0K	-359.876479
Energy at 298.15K	-359.884191
HF Energy	-359.876479
Nuclear repulsion energy	148.469384

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3054	3026	0.00
2	A'	2955	2929	0.00
3	A'	1483	1469	0.00
4	A'	1272	1261	0.00
5	A'	644	638	0.00
6	A'	509	505	0.00
7	A"	3023	2995	35.95
8	A"	1486	1473	9.44
9	A"	791	784	146.13
10	A"	181	180	4.35
11	A"	67	67	0.19
12	E'	3054	3026	22.97
12	E'	3054	3026	22.97
13	E'	2954	2927	7.09
13	E'	2954	2927	7.08
14	E'	1481	1468	2.43
14	E'	1481	1468	2.43
15	E'	1267	1256	52.36
15	E'	1267	1256	52.35
16	E'	810	803	170.32
16	E'	810	803	170.32
17	E'	655	649	9.23
17	E'	655	649	9.24
18	E'	162	160	2.48
18	E'	162	160	2.48
19	E"	3023	2995	0.00
19	E"	3023	2995	0.00
20	E"	1483	1470	0.00
20	E"	1483	1470	0.00
21	E"	629	624	0.00
21	E"	629	624	0.00
22	E"	49	49	0.00
22	E"	49	49	0.00

Atom	x (Å)	y (Å)	z (Å)
Al1	0.000	0.000	0.000
C2	0.000	2.000	0.000
C3	-1.732	-1.000	0.000
C4	1.732	-1.000	0.000
H5	-1.021	2.422	0.000
H6	-1.587	-2.095	0.000
H7	2.608	-0.327	0.000
H8	0.534	2.394	0.888
H9	0.534	2.394	-0.888
H10	-2.340	-0.735	0.888
H11	-2.340	-0.735	-0.888
H12	1.807	-1.659	0.888
H13	1.807	-1.659	-0.888

	Al1	C2	C3	C4	H5	H6	H7	H8	H9	H10	H11	H12	H13
Al1		2.0000	2.0000	2.0000	2.6284	2.6284	2.6284	2.6087	2.6087	2.6087	2.6087	2.6087	2.6087
C2	2.0000		3.4641	3.4641	1.1049	4.3920	3.4949	1.1084	1.1084	3.7074	3.7074	4.1764	4.1764
C3	2.0000	3.4641		3.4641	3.4949	1.1049	4.3920	4.1764	4.1764	1.1084	1.1084	3.7074	3.7074
C4	2.0000	3.4641	3.4641		4.3920	3.4949	1.1049	3.7074	3.7074	4.1764	4.1764	1.1084	1.1084
H5	2.6284	1.1049	3.4949	4.3920		4.5525	4.5525	1.7907	1.7907	3.5346	3.5346	5.0439	5.0439
H6	2.6284	4.3920	1.1049	3.4949	4.5525		4.5525	5.0439	5.0439	1.7907	1.7907	3.5346	3.5346
H7	2.6284	3.4949	4.3920	1.1049	4.5525	4.5525		3.5346	3.5346	5.0439	5.0439	1.7907	1.7907
H8	2.6087	1.1084	4.1764	3.7074	1.7907	5.0439	3.5346		1.7756	4.2487	4.6048	4.2487	4.6048
H9	2.6087	1.1084	4.1764	3.7074	1.7907	5.0439	3.5346	1.7756		4.6048	4.2487	4.6048	4.2487
H10	2.6087	3.7074	1.1084	4.1764	3.5346	1.7907	5.0439	4.2487	4.6048		1.7756	4.2487	4.6048
H11	2.6087	3.7074	1.1084	4.1764	3.5346	1.7907	5.0439	4.6048	4.2487	1.7756		4.6048	4.2487
H12	2.6087	4.1764	3.7074	1.1084	5.0439	3.5346	1.7907	4.2487	4.6048	4.2487	4.6048		1.7756
H13	2.6087	4.1764	3.7074	1.1084	5.0439	3.5346	1.7907	4.6048	4.2487	4.6048	4.2487	1.7756

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Al1	C2	H5	112.448	Al1	C2	H8	110.835
Al1	C2	H9	110.835	Al1	C3	H6	112.448
Al1	C3	H10	110.835	Al1	C3	H11	110.835
Al1	C4	H7	112.448	Al1	C4	H12	110.835
Al1	C4	H13	110.835	C2	Al1	C3	120.000
C2	Al1	C4	120.000	C3	Al1	C4	120.000
H5	C2	H8	108.013	H5	C2	H9	108.013
H6	C3	H10	108.013	H6	C3	H11	108.013
H7	C4	H12	108.013	H7	C4	H13	108.013
H8	C2	H9	106.454	H10	C3	H11	106.454
H12	C4	H13	106.454

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

using model chemistry: PBEPBE/3-21G

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	1.038
2	C	-0.990
3	C	-0.990
4	C	-0.990
5	H	0.215
6	H	0.215
7	H	0.215
8	H	0.215
9	H	0.215
10	H	0.215
11	H	0.215
12	H	0.215
13	H	0.215

<r²>	155.047
(<r²>)^1/2	12.452

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

using model chemistry: PBEPBE/3-21G

States and conformations

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