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	hartrees
Energy at 0K	-362.108612
Energy at 298.15K	-362.116017
HF Energy	-362.108612
Nuclear repulsion energy	150.323824

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3134	3004	0.00
2	A'	3036	2909	0.00
3	A'	1463	1402	0.00
4	A'	1253	1201	0.00
5	A'	599	574	0.00
6	A'	512	491	0.00
7	A"	3108	2979	42.11
8	A"	1467	1406	4.63
9	A"	738	707	118.22
10	A"	183	176	5.32
11	A"	44	42	0.06
12	E'	3135	3004	25.89
12	E'	3135	3004	25.89
13	E'	3034	2908	8.77
13	E'	3034	2908	8.77
14	E'	1461	1400	0.64
14	E'	1461	1400	0.64
15	E'	1249	1197	38.74
15	E'	1249	1197	38.74
16	E'	774	742	168.48
16	E'	774	742	168.48
17	E'	642	616	11.25
17	E'	642	616	11.25
18	E'	170	163	2.89
18	E'	170	163	2.89
19	E"	3108	2979	0.00
19	E"	3108	2979	0.00
20	E"	1464	1404	0.00
20	E"	1464	1404	0.00
21	E"	571	547	0.00
21	E"	571	547	0.00
22	E"	19	18	0.00
22	E"	19	18	0.00

Atom	x (Å)	y (Å)	z (Å)
Al1	0.000	0.000	0.000
C2	0.000	1.971	0.000
C3	-1.707	-0.986	0.000
C4	1.707	-0.986	0.000
H5	-1.005	2.408	0.000
H6	-1.583	-2.074	0.000
H7	2.587	-0.334	0.000
H8	0.530	2.367	0.876
H9	0.530	2.367	-0.876
H10	-2.316	-0.724	0.876
H11	-2.316	-0.724	-0.876
H12	1.785	-1.643	0.876
H13	1.785	-1.643	-0.876

	Al1	C2	C3	C4	H5	H6	H7	H8	H9	H10	H11	H12	H13
Al1		1.9714	1.9714	1.9714	2.6087	2.6087	2.6087	2.5794	2.5794	2.5794	2.5794	2.5794	2.5794
C2	1.9714		3.4145	3.4145	1.0951	4.3437	3.4653	1.0980	1.0980	3.6600	3.6600	4.1253	4.1253
C3	1.9714	3.4145		3.4145	3.4653	1.0951	4.3437	4.1253	4.1253	1.0980	1.0980	3.6600	3.6600
C4	1.9714	3.4145	3.4145		4.3437	3.4653	1.0951	3.6600	3.6600	4.1253	4.1253	1.0980	1.0980
H5	2.6087	1.0951	3.4653	4.3437		4.5184	4.5184	1.7678	1.7678	3.5064	3.5064	4.9957	4.9957
H6	2.6087	4.3437	1.0951	3.4653	4.5184		4.5184	4.9957	4.9957	1.7678	1.7678	3.5064	3.5064
H7	2.6087	3.4653	4.3437	1.0951	4.5184	4.5184		3.5064	3.5064	4.9957	4.9957	1.7678	1.7678
H8	2.5794	1.0980	4.1253	3.6600	1.7678	4.9957	3.5064		1.7518	4.2022	4.5528	4.2022	4.5528
H9	2.5794	1.0980	4.1253	3.6600	1.7678	4.9957	3.5064	1.7518		4.5528	4.2022	4.5528	4.2022
H10	2.5794	3.6600	1.0980	4.1253	3.5064	1.7678	4.9957	4.2022	4.5528		1.7518	4.2022	4.5528
H11	2.5794	3.6600	1.0980	4.1253	3.5064	1.7678	4.9957	4.5528	4.2022	1.7518		4.5528	4.2022
H12	2.5794	4.1253	3.6600	1.0980	4.9957	3.5064	1.7678	4.2022	4.5528	4.2022	4.5528		1.7518
H13	2.5794	4.1253	3.6600	1.0980	4.9957	3.5064	1.7678	4.5528	4.2022	4.5528	4.2022	1.7518

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Al1	C2	H5	113.471	Al1	C2	H8	111.146
Al1	C2	H9	111.146	Al1	C3	H6	113.471
Al1	C3	H10	111.146	Al1	C3	H11	111.146
Al1	C4	H7	113.471	Al1	C4	H12	111.146
Al1	C4	H13	111.146	C2	Al1	C3	120.000
C2	Al1	C4	120.000	C3	Al1	C4	120.000
H5	C2	H8	107.428	H5	C2	H9	107.428
H6	C3	H10	107.428	H6	C3	H11	107.428
H7	C4	H12	107.428	H7	C4	H13	107.428
H8	C2	H9	105.834	H10	C3	H11	105.834
H12	C4	H13	105.834

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

using model chemistry: B3PW91/6-31G**

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	0.755
2	C	-0.662
3	C	-0.662
4	C	-0.662
5	H	0.138
6	H	0.138
7	H	0.138
8	H	0.136
9	H	0.136
10	H	0.136
11	H	0.136
12	H	0.136
13	H	0.136

<r²>	151.611
(<r²>)^1/2	12.313

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

using model chemistry: B3PW91/6-31G**

States and conformations

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