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	hartrees
Energy at 0K	-362.272412
Energy at 298.15K	-362.279887
HF Energy	-362.272412
Nuclear repulsion energy	150.644653

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3084	2984	0.00
2	A'	3005	2908	0.00
3	A'	1453	1406	0.00
4	A'	1233	1193	0.00
5	A'	599	580	0.00
6	A'	514	497	0.00
7	A"	3056	2957	45.05
8	A"	1457	1409	3.60
9	A"	721	698	79.81
10	A"	184	178	8.32
11	A"	52	50	0.02
12	E'	3085	2984	28.77
12	E'	3085	2984	28.76
13	E'	3003	2906	14.51
13	E'	3003	2906	14.51
14	E'	1451	1404	0.59
14	E'	1451	1404	0.59
15	E'	1231	1191	35.82
15	E'	1231	1191	35.82
16	E'	758	734	149.60
16	E'	758	734	149.58
17	E'	641	621	18.09
17	E'	641	621	18.10
18	E'	169	164	5.25
18	E'	169	164	5.25
19	E"	3056	2957	0.00
19	E"	3056	2957	0.00
20	E"	1454	1407	0.00
20	E"	1454	1407	0.00
21	E"	563	545	0.00
21	E"	563	545	0.00
22	E"	32	30	0.00
22	E"	32	30	0.00

Atom	x (Å)	y (Å)	z (Å)
Al1	0.000	0.000	0.000
C2	0.000	1.969	0.000
C3	-1.705	-0.985	0.000
C4	1.705	-0.985	0.000
H5	-1.003	2.399	0.000
H6	-1.576	-2.068	0.000
H7	2.579	-0.331	0.000
H8	0.528	2.362	0.874
H9	0.528	2.362	-0.874
H10	-2.310	-0.724	0.874
H11	-2.310	-0.724	-0.874
H12	1.782	-1.638	0.874
H13	1.782	-1.638	-0.874

	Al1	C2	C3	C4	H5	H6	H7	H8	H9	H10	H11	H12	H13
Al1		1.9691	1.9691	1.9691	2.6003	2.6003	2.6003	2.5735	2.5735	2.5735	2.5735	2.5735	2.5735
C2	1.9691		3.4105	3.4105	1.0915	4.3341	3.4556	1.0942	1.0942	3.6540	3.6540	4.1172	4.1172
C3	1.9691	3.4105		3.4105	3.4556	1.0915	4.3341	4.1172	4.1172	1.0942	1.0942	3.6540	3.6540
C4	1.9691	3.4105	3.4105		4.3341	3.4556	1.0915	3.6540	3.6540	4.1172	4.1172	1.0942	1.0942
H5	2.6003	1.0915	3.4556	4.3341		4.5039	4.5039	1.7634	1.7634	3.4963	3.4963	4.9819	4.9819
H6	2.6003	4.3341	1.0915	3.4556	4.5039		4.5039	4.9819	4.9819	1.7634	1.7634	3.4963	3.4963
H7	2.6003	3.4556	4.3341	1.0915	4.5039	4.5039		3.4963	3.4963	4.9819	4.9819	1.7634	1.7634
H8	2.5735	1.0942	4.1172	3.6540	1.7634	4.9819	3.4963		1.7483	4.1924	4.5423	4.1924	4.5423
H9	2.5735	1.0942	4.1172	3.6540	1.7634	4.9819	3.4963	1.7483		4.5423	4.1924	4.5423	4.1924
H10	2.5735	3.6540	1.0942	4.1172	3.4963	1.7634	4.9819	4.1924	4.5423		1.7483	4.1924	4.5423
H11	2.5735	3.6540	1.0942	4.1172	3.4963	1.7634	4.9819	4.5423	4.1924	1.7483		4.5423	4.1924
H12	2.5735	4.1172	3.6540	1.0942	4.9819	3.4963	1.7634	4.1924	4.5423	4.1924	4.5423		1.7483
H13	2.5735	4.1172	3.6540	1.0942	4.9819	3.4963	1.7634	4.5423	4.1924	4.5423	4.1924	1.7483

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Al1	C2	H5	113.198	Al1	C2	H8	111.058
Al1	C2	H9	111.058	Al1	C3	H6	113.198
Al1	C3	H10	111.058	Al1	C3	H11	111.058
Al1	C4	H7	113.198	Al1	C4	H12	111.058
Al1	C4	H13	111.058	C2	Al1	C3	120.000
C2	Al1	C4	120.000	C3	Al1	C4	120.000
H5	C2	H8	107.566	H5	C2	H9	107.566
H6	C3	H10	107.566	H6	C3	H11	107.566
H7	C4	H12	107.566	H7	C4	H13	107.566
H8	C2	H9	106.050	H10	C3	H11	106.050
H12	C4	H13	106.050

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

using model chemistry: B3LYPultrafine/aug-cc-pVTZ

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	0.517
2	C	-0.563
3	C	-0.563
4	C	-0.563
5	H	0.181
6	H	0.181
7	H	0.181
8	H	0.105
9	H	0.105
10	H	0.105
11	H	0.105
12	H	0.105
13	H	0.105

<r²>	152.110
(<r²>)^1/2	12.333

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

using model chemistry: B3LYPultrafine/aug-cc-pVTZ

States and conformations

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