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	hartrees
Energy at 0K	-360.105967
Energy at 298.15K	-360.113667
HF Energy	-360.105967
Nuclear repulsion energy	148.185341

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3026	3009	0.00
2	A'	2942	2925	0.00
3	A'	1496	1488	0.00
4	A'	1288	1281	0.00
5	A'	650	646	0.00
6	A'	500	497	0.00
7	A"	2993	2977	52.47
8	A"	1500	1492	5.89
9	A"	792	787	132.92
10	A"	182	181	5.07
11	A"	64	63	0.12
12	E'	3026	3009	31.43
12	E'	3026	3009	31.44
13	E'	2940	2923	11.96
13	E'	2940	2923	11.96
14	E'	1495	1486	1.51
14	E'	1495	1486	1.51
15	E'	1283	1276	36.56
15	E'	1283	1276	36.56
16	E'	810	806	160.97
16	E'	810	806	160.96
17	E'	646	642	13.24
17	E'	646	642	13.24
18	E'	166	165	2.93
18	E'	166	165	2.92
19	E"	2993	2977	0.00
19	E"	2993	2977	0.00
20	E"	1497	1489	0.00
20	E"	1497	1489	0.00
21	E"	632	628	0.00
21	E"	632	628	0.00
22	E"	45	45	0.00
22	E"	45	45	0.00

Atom	x (Å)	y (Å)	z (Å)
Al1	0.000	0.000	0.000
C2	0.000	2.006	0.000
C3	-1.737	-1.003	0.000
C4	1.737	-1.003	0.000
H5	-1.019	2.429	0.000
H6	-1.594	-2.097	0.000
H7	2.613	-0.332	0.000
H8	0.533	2.401	0.886
H9	0.533	2.401	-0.886
H10	-2.346	-0.739	0.886
H11	-2.346	-0.739	-0.886
H12	1.813	-1.662	0.886
H13	1.813	-1.662	-0.886

	Al1	C2	C3	C4	H5	H6	H7	H8	H9	H10	H11	H12	H13
Al1		2.0055	2.0055	2.0055	2.6345	2.6345	2.6345	2.6144	2.6144	2.6144	2.6144	2.6144	2.6144
C2	2.0055		3.4737	3.4737	1.1036	4.4016	3.5065	1.1072	1.1072	3.7179	3.7179	4.1860	4.1860
C3	2.0055	3.4737		3.4737	3.5065	1.1036	4.4016	4.1860	4.1860	1.1072	1.1072	3.7179	3.7179
C4	2.0055	3.4737	3.4737		4.4016	3.5065	1.1036	3.7179	3.7179	4.1860	4.1860	1.1072	1.1072
H5	2.6345	1.1036	3.5065	4.4016		4.5631	4.5631	1.7871	1.7871	3.5479	3.5479	5.0542	5.0542
H6	2.6345	4.4016	1.1036	3.5065	4.5631		4.5631	5.0542	5.0542	1.7871	1.7871	3.5479	3.5479
H7	2.6345	3.5065	4.4016	1.1036	4.5631	4.5631		3.5479	3.5479	5.0542	5.0542	1.7871	1.7871
H8	2.6144	1.1072	4.1860	3.7179	1.7871	5.0542	3.5479		1.7729	4.2600	4.6142	4.2600	4.6142
H9	2.6144	1.1072	4.1860	3.7179	1.7871	5.0542	3.5479	1.7729		4.6142	4.2600	4.6142	4.2600
H10	2.6144	3.7179	1.1072	4.1860	3.5479	1.7871	5.0542	4.2600	4.6142		1.7729	4.2600	4.6142
H11	2.6144	3.7179	1.1072	4.1860	3.5479	1.7871	5.0542	4.6142	4.2600	1.7729		4.6142	4.2600
H12	2.6144	4.1860	3.7179	1.1072	5.0542	3.5479	1.7871	4.2600	4.6142	4.2600	4.6142		1.7729
H13	2.6144	4.1860	3.7179	1.1072	5.0542	3.5479	1.7871	4.6142	4.2600	4.6142	4.2600	1.7729

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Al1	C2	H5	112.588	Al1	C2	H8	110.938
Al1	C2	H9	110.938	Al1	C3	H6	112.588
Al1	C3	H10	110.938	Al1	C3	H11	110.938
Al1	C4	H7	112.588	Al1	C4	H12	110.938
Al1	C4	H13	110.938	C2	Al1	C3	120.000
C2	Al1	C4	120.000	C3	Al1	C4	120.000
H5	C2	H8	107.866	H5	C2	H9	107.866
H6	C3	H10	107.866	H6	C3	H11	107.866
H7	C4	H12	107.866	H7	C4	H13	107.866
H8	C2	H9	106.378	H10	C3	H11	106.378
H12	C4	H13	106.378

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

using model chemistry: BLYP/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	1.014
2	C	-0.901
3	C	-0.901
4	C	-0.901
5	H	0.188
6	H	0.188
7	H	0.188
8	H	0.188
9	H	0.188
10	H	0.188
11	H	0.188
12	H	0.188
13	H	0.188

<r²>	155.919
(<r²>)^1/2	12.487

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

using model chemistry: BLYP/3-21G

States and conformations

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