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	hartrees
Energy at 0K	-358.810350
Energy at 298.15K	-358.818285
HF Energy	-358.810350
Nuclear repulsion energy	149.213704

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3231	2926	0.00
2	A'	3152	2854	0.00
3	A'	1629	1475	0.00
4	A'	1431	1296	0.00
5	A'	703	637	0.00
6	A'	540	489	0.00
7	A"	3203	2901	68.90
8	A"	1633	1478	13.64
9	A"	856	775	156.90
10	A"	203	184	16.47
11	A"	52	47	0.03
12	E'	3232	2927	34.15
12	E'	3232	2927	34.15
13	E'	3150	2853	16.29
13	E'	3150	2853	16.29
14	E'	1628	1475	3.38
14	E'	1628	1475	3.38
15	E'	1426	1291	69.69
15	E'	1426	1291	69.69
16	E'	872	789	183.54
16	E'	872	789	183.54
17	E'	691	625	20.93
17	E'	691	625	20.93
18	E'	176	160	6.70
18	E'	176	160	6.70
19	E"	3202	2900	0.00
19	E"	3202	2900	0.00
20	E"	1632	1478	0.00
20	E"	1632	1478	0.00
21	E"	695	629	0.00
21	E"	695	629	0.00
22	E"	28	25	0.00
22	E"	28	25	0.00

Atom	x (Å)	y (Å)	z (Å)
Al1	0.000	0.000	0.000
C2	0.000	1.998	0.000
C3	-1.730	-0.999	0.000
C4	1.730	-0.999	0.000
H5	-1.006	2.410	0.000
H6	-1.584	-2.076	0.000
H7	2.590	-0.334	0.000
H8	0.520	2.391	0.874
H9	0.520	2.391	-0.874
H10	-2.330	-0.745	0.874
H11	-2.330	-0.745	-0.874
H12	1.810	-1.646	0.874
H13	1.810	-1.646	-0.874

	Al1	C2	C3	C4	H5	H6	H7	H8	H9	H10	H11	H12	H13
Al1		1.9977	1.9977	1.9977	2.6111	2.6111	2.6111	2.5978	2.5978	2.5978	2.5978	2.5978	2.5978
C2	1.9977		3.4601	3.4601	1.0868	4.3706	3.4845	1.0899	1.0899	3.7034	3.7034	4.1611	4.1611
C3	1.9977	3.4601		3.4601	3.4845	1.0868	4.3706	4.1610	4.1610	1.0899	1.0899	3.7034	3.7034
C4	1.9977	3.4601	3.4601		4.3706	3.4845	1.0868	3.7034	3.7034	4.1610	4.1610	1.0899	1.0899
H5	2.6111	1.0868	3.4845	4.3706		4.5225	4.5225	1.7583	1.7583	3.5310	3.5310	5.0138	5.0138
H6	2.6111	4.3706	1.0868	3.4845	4.5225		4.5225	5.0138	5.0138	1.7583	1.7583	3.5310	3.5310
H7	2.6111	3.4845	4.3706	1.0868	4.5225	4.5225		3.5310	3.5310	5.0138	5.0138	1.7583	1.7583
H8	2.5978	1.0899	4.1610	3.7034	1.7583	5.0138	3.5310		1.7470	4.2375	4.5835	4.2375	4.5835
H9	2.5978	1.0899	4.1610	3.7034	1.7583	5.0138	3.5310	1.7470		4.5835	4.2375	4.5835	4.2375
H10	2.5978	3.7034	1.0899	4.1610	3.5310	1.7583	5.0138	4.2375	4.5835		1.7470	4.2375	4.5835
H11	2.5978	3.7034	1.0899	4.1610	3.5310	1.7583	5.0138	4.5835	4.2375	1.7470		4.5835	4.2375
H12	2.5978	4.1611	3.7034	1.0899	5.0138	3.5310	1.7583	4.2375	4.5835	4.2375	4.5835		1.7470
H13	2.5978	4.1611	3.7034	1.0899	5.0138	3.5310	1.7583	4.5835	4.2375	4.5835	4.2375	1.7470

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Al1	C2	H5	112.270	Al1	C2	H8	111.129
Al1	C2	H9	111.129	Al1	C3	H6	112.270
Al1	C3	H10	111.129	Al1	C3	H11	111.129
Al1	C4	H7	112.270	Al1	C4	H12	111.129
Al1	C4	H13	111.129	C2	Al1	C3	120.000
C2	Al1	C4	120.000	C3	Al1	C4	120.000
H5	C2	H8	107.756	H5	C2	H9	107.756
H6	C3	H10	107.756	H6	C3	H11	107.756
H7	C4	H12	107.756	H7	C4	H13	107.756
H8	C2	H9	106.542	H10	C3	H11	106.542
H12	C4	H13	106.542

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	1.403
2	C	-1.087
3	C	-1.087
4	C	-1.087
5	H	0.208
6	H	0.208
7	H	0.208
8	H	0.206
9	H	0.206
10	H	0.206
11	H	0.206
12	H	0.206
13	H	0.206

<r²>	155.209
(<r²>)^1/2	12.458

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)