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	hartrees
Energy at 0K	-360.232635
Energy at 298.15K	-360.240347
HF Energy	-360.232635
Nuclear repulsion energy	150.186357

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3129	2971	0.00
2	A'	3032	2879	0.00
3	A'	1528	1451	0.00
4	A'	1309	1243	0.00
5	A'	630	598	0.00
6	A'	527	501	0.00
7	A"	3099	2943	37.22
8	A"	1531	1454	9.06
9	A"	788	748	156.76
10	A"	188	179	5.28
11	A"	59	56	0.09
12	E'	3129	2971	22.90
12	E'	3129	2971	22.90
13	E'	3030	2878	6.33
13	E'	3030	2878	6.33
14	E'	1526	1449	1.90
14	E'	1526	1449	1.90
15	E'	1306	1240	68.30
15	E'	1306	1240	68.32
16	E'	813	772	187.64
16	E'	813	772	187.63
17	E'	666	632	9.49
17	E'	666	632	9.49
18	E'	172	163	2.40
18	E'	172	163	2.40
19	E"	3099	2943	0.00
19	E"	3099	2943	0.00
20	E"	1529	1452	0.00
20	E"	1529	1452	0.00
21	E"	618	586	0.00
21	E"	618	586	0.00
22	E"	41	39	0.00
22	E"	41	39	0.00

Atom	x (Å)	y (Å)	z (Å)
Al1	0.000	0.000	0.000
C2	0.000	1.974	0.000
C3	-1.710	-0.987	0.000
C4	1.710	-0.987	0.000
H5	-1.012	2.397	0.000
H6	-1.570	-2.075	0.000
H7	2.582	-0.323	0.000
H8	0.530	2.365	0.881
H9	0.530	2.365	-0.881
H10	-2.313	-0.723	0.881
H11	-2.313	-0.723	-0.881
H12	1.783	-1.642	0.881
H13	1.783	-1.642	-0.881

	Al1	C2	C3	C4	H5	H6	H7	H8	H9	H10	H11	H12	H13
Al1		1.9743	1.9743	1.9743	2.6021	2.6021	2.6021	2.5786	2.5786	2.5786	2.5786	2.5786	2.5786
C2	1.9743		3.4196	3.4196	1.0966	4.3430	3.4558	1.0999	1.0999	3.6608	3.6608	4.1267	4.1267
C3	1.9743	3.4196		3.4196	3.4558	1.0966	4.3430	4.1267	4.1267	1.0999	1.0999	3.6608	3.6608
C4	1.9743	3.4196	3.4196		4.3430	3.4558	1.0966	3.6608	3.6608	4.1267	4.1267	1.0999	1.0999
H5	2.6021	1.0966	3.4558	4.3430		4.5070	4.5070	1.7763	1.7763	3.4938	3.4938	4.9899	4.9899
H6	2.6021	4.3430	1.0966	3.4558	4.5070		4.5070	4.9899	4.9899	1.7763	1.7763	3.4938	3.4938
H7	2.6021	3.4558	4.3430	1.0966	4.5070	4.5070		3.4938	3.4938	4.9899	4.9899	1.7763	1.7763
H8	2.5786	1.0999	4.1267	3.6608	1.7763	4.9899	3.4938		1.7619	4.1975	4.5523	4.1975	4.5523
H9	2.5786	1.0999	4.1267	3.6608	1.7763	4.9899	3.4938	1.7619		4.5523	4.1975	4.5523	4.1975
H10	2.5786	3.6608	1.0999	4.1267	3.4938	1.7763	4.9899	4.1975	4.5523		1.7619	4.1975	4.5523
H11	2.5786	3.6608	1.0999	4.1267	3.4938	1.7763	4.9899	4.5523	4.1975	1.7619		4.5523	4.1975
H12	2.5786	4.1267	3.6608	1.0999	4.9899	3.4938	1.7763	4.1975	4.5523	4.1975	4.5523		1.7619
H13	2.5786	4.1267	3.6608	1.0999	4.9899	3.4938	1.7763	4.5523	4.1975	4.5523	4.1975	1.7619

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Al1	C2	H5	112.694	Al1	C2	H8	110.788
Al1	C2	H9	110.788	Al1	C3	H6	112.694
Al1	C3	H10	110.788	Al1	C3	H11	110.788
Al1	C4	H7	112.694	Al1	C4	H12	110.788
Al1	C4	H13	110.788	C2	Al1	C3	120.000
C2	Al1	C4	120.000	C3	Al1	C4	120.000
H5	C2	H8	107.937	H5	C2	H9	107.937
H6	C3	H10	107.937	H6	C3	H11	107.937
H7	C4	H12	107.937	H7	C4	H13	107.937
H8	C2	H9	106.437	H10	C3	H11	106.437
H12	C4	H13	106.437

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

using model chemistry: mPW1PW91/3-21G*

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	0.981
2	C	-0.970
3	C	-0.970
4	C	-0.970
5	H	0.216
6	H	0.216
7	H	0.216
8	H	0.214
9	H	0.214
10	H	0.214
11	H	0.214
12	H	0.214
13	H	0.214

<r²>	151.640
(<r²>)^1/2	12.314

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

using model chemistry: mPW1PW91/3-21G*

States and conformations

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