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	hartrees
Energy at 0K	-358.859849
Energy at 298.15K	-358.867731
HF Energy	-358.859849
Nuclear repulsion energy	150.122020

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3217	2903	0.00
2	A'	3139	2833	0.00
3	A'	1630	1472	0.00
4	A'	1427	1288	0.00
5	A'	670	605	0.00
6	A'	543	490	0.00
7	A"	3186	2875	75.16
8	A"	1633	1474	7.62
9	A"	829	748	158.00
10	A"	202	183	12.50
11	A"	51	46	0.01
12	E'	3217	2904	38.37
12	E'	3217	2904	38.37
13	E'	3137	2831	14.00
13	E'	3137	2831	14.00
14	E'	1629	1470	1.46
14	E'	1629	1470	1.46
15	E'	1425	1286	69.64
15	E'	1425	1286	69.64
16	E'	852	769	190.74
16	E'	852	769	190.74
17	E'	686	619	19.11
17	E'	686	619	19.11
18	E'	182	164	4.74
18	E'	182	164	4.74
19	E"	3185	2875	0.00
19	E"	3185	2875	0.00
20	E"	1632	1473	0.00
20	E"	1632	1473	0.00
21	E"	657	593	0.00
21	E"	657	593	0.00
22	E"	32	29	0.00
22	E"	32	29	0.00

Atom	x (Å)	y (Å)	z (Å)
Al1	0.000	0.000	0.000
C2	0.000	1.981	0.000
C3	-1.715	-0.990	0.000
C4	1.715	-0.990	0.000
H5	-1.004	2.400	0.000
H6	-1.577	-2.069	0.000
H7	2.580	-0.331	0.000
H8	0.524	2.371	0.874
H9	0.524	2.371	-0.874
H10	-2.315	-0.732	0.874
H11	-2.315	-0.732	-0.874
H12	1.792	-1.639	0.874
H13	1.792	-1.639	-0.874

	Al1	C2	C3	C4	H5	H6	H7	H8	H9	H10	H11	H12	H13
Al1		1.9806	1.9806	1.9806	2.6016	2.6016	2.6016	2.5807	2.5807	2.5807	2.5807	2.5807	2.5807
C2	1.9806		3.4305	3.4305	1.0877	4.3460	3.4645	1.0910	1.0910	3.6719	3.6719	4.1323	4.1323
C3	1.9806	3.4305		3.4305	3.4645	1.0877	4.3460	4.1323	4.1323	1.0910	1.0910	3.6719	3.6719
C4	1.9806	3.4305	3.4305		4.3460	3.4645	1.0877	3.6719	3.6719	4.1323	4.1323	1.0910	1.0910
H5	2.6016	1.0877	3.4645	4.3460		4.5061	4.5061	1.7597	1.7597	3.5066	3.5066	4.9892	4.9892
H6	2.6016	4.3460	1.0877	3.4645	4.5061		4.5061	4.9892	4.9892	1.7597	1.7597	3.5066	3.5066
H7	2.6016	3.4645	4.3460	1.0877	4.5061	4.5061		3.5066	3.5066	4.9892	4.9892	1.7597	1.7597
H8	2.5807	1.0910	4.1323	3.6719	1.7597	4.9892	3.5066		1.7478	4.2059	4.5546	4.2059	4.5546
H9	2.5807	1.0910	4.1323	3.6719	1.7597	4.9892	3.5066	1.7478		4.5546	4.2059	4.5546	4.2059
H10	2.5807	3.6719	1.0910	4.1323	3.5066	1.7597	4.9892	4.2059	4.5546		1.7478	4.2059	4.5546
H11	2.5807	3.6719	1.0910	4.1323	3.5066	1.7597	4.9892	4.5546	4.2059	1.7478		4.5546	4.2059
H12	2.5807	4.1323	3.6719	1.0910	4.9892	3.5066	1.7597	4.2059	4.5546	4.2059	4.5546		1.7478
H13	2.5807	4.1323	3.6719	1.0910	4.9892	3.5066	1.7597	4.5546	4.2059	4.5546	4.2059	1.7478

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Al1	C2	H5	112.693	Al1	C2	H8	110.973
Al1	C2	H9	110.973	Al1	C3	H6	112.693
Al1	C3	H10	110.973	Al1	C3	H11	110.973
Al1	C4	H7	112.693	Al1	C4	H12	110.973
Al1	C4	H13	110.973	C2	Al1	C3	120.000
C2	Al1	C4	120.000	C3	Al1	C4	120.000
H5	C2	H8	107.739	H5	C2	H9	107.739
H6	C3	H10	107.739	H6	C3	H11	107.739
H7	C4	H12	107.739	H7	C4	H13	107.739
H8	C2	H9	106.447	H10	C3	H11	106.447
H12	C4	H13	106.447

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

using model chemistry: HF/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	1.138
2	C	-0.969
3	C	-0.969
4	C	-0.969
5	H	0.198
6	H	0.198
7	H	0.198
8	H	0.196
9	H	0.196
10	H	0.196
11	H	0.196
12	H	0.196
13	H	0.196

<r²>	152.925
(<r²>)^1/2	12.366

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

using model chemistry: HF/3-21G*

States and conformations

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