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	hartrees
Energy at 0K	-362.091628
Energy at 298.15K	-362.099288
HF Energy	-362.091628
Nuclear repulsion energy	150.501986

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3148	3148	0.00
2	A'	3034	3034	0.00
3	A'	1490	1490	0.00
4	A'	1306	1306	0.00
5	A'	666	666	0.00
6	A'	529	529	0.00
7	A"	3119	3119	62.35
8	A"	1488	1488	20.47
9	A"	809	809	144.32
10	A"	187	187	8.46
11	A"	49	49	0.21
12	E'	3149	3149	39.53
12	E'	3149	3149	39.55
13	E'	3032	3032	25.89
13	E'	3032	3032	25.86
14	E'	1485	1485	6.14
14	E'	1485	1485	6.14
15	E'	1302	1302	92.47
15	E'	1302	1302	92.37
16	E'	834	834	184.07
16	E'	834	834	184.07
17	E'	673	673	17.02
17	E'	673	673	17.01
18	E'	171	171	4.67
18	E'	171	171	4.67
19	E"	3119	3119	0.00
19	E"	3119	3119	0.00
20	E"	1487	1487	0.00
20	E"	1487	1487	0.00
21	E"	648	648	0.00
21	E"	648	648	0.00
22	E"	18	18	0.00
22	E"	18	18	0.00

Atom	x (Å)	y (Å)	z (Å)
Al1	0.000	0.000	0.000
C2	0.000	1.968	0.000
C3	-1.704	-0.984	0.000
C4	1.704	-0.984	0.000
H5	-1.012	2.390	0.000
H6	-1.564	-2.071	0.000
H7	2.576	-0.319	0.000
H8	0.526	2.368	0.879
H9	0.526	2.368	-0.879
H10	-2.314	-0.729	0.879
H11	-2.314	-0.729	-0.879
H12	1.788	-1.640	0.879
H13	1.788	-1.640	-0.879

	Al1	C2	C3	C4	H5	H6	H7	H8	H9	H10	H11	H12	H13
Al1		1.9678	1.9678	1.9678	2.5956	2.5956	2.5956	2.5800	2.5800	2.5800	2.5800	2.5800	2.5800
C2	1.9678		3.4083	3.4083	1.0962	4.3313	3.4446	1.0994	1.0994	3.6601	3.6601	4.1208	4.1208
C3	1.9678	3.4083		3.4083	3.4446	1.0962	4.3313	4.1208	4.1208	1.0994	1.0994	3.6601	3.6601
C4	1.9678	3.4083	3.4083		4.3313	3.4446	1.0962	3.6601	3.6601	4.1208	4.1208	1.0994	1.0994
H5	2.5956	1.0962	3.4446	4.3313		4.4956	4.4956	1.7709	1.7709	3.4922	3.4922	4.9848	4.9848
H6	2.5956	4.3313	1.0962	3.4446	4.4956		4.4956	4.9848	4.9848	1.7709	1.7709	3.4922	3.4922
H7	2.5956	3.4446	4.3313	1.0962	4.4956	4.4956		3.4922	3.4922	4.9848	4.9848	1.7709	1.7709
H8	2.5800	1.0994	4.1208	3.6601	1.7709	4.9848	3.4922		1.7571	4.2017	4.5542	4.2017	4.5542
H9	2.5800	1.0994	4.1208	3.6601	1.7709	4.9848	3.4922	1.7571		4.5542	4.2017	4.5542	4.2017
H10	2.5800	3.6601	1.0994	4.1208	3.4922	1.7709	4.9848	4.2017	4.5542		1.7571	4.2017	4.5542
H11	2.5800	3.6601	1.0994	4.1208	3.4922	1.7709	4.9848	4.5542	4.2017	1.7571		4.5542	4.2017
H12	2.5800	4.1208	3.6601	1.0994	4.9848	3.4922	1.7709	4.2017	4.5542	4.2017	4.5542		1.7571
H13	2.5800	4.1208	3.6601	1.0994	4.9848	3.4922	1.7709	4.5542	4.2017	4.5542	4.2017	1.7571

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Al1	C2	H5	112.672	Al1	C2	H8	111.353
Al1	C2	H9	111.353	Al1	C3	H6	112.671
Al1	C3	H10	111.353	Al1	C3	H11	111.353
Al1	C4	H7	112.672	Al1	C4	H12	111.353
Al1	C4	H13	111.353	C2	Al1	C3	120.000
C2	Al1	C4	120.000	C3	Al1	C4	120.000
H5	C2	H8	107.523	H5	C2	H9	107.523
H6	C3	H10	107.523	H6	C3	H11	107.523
H7	C4	H12	107.523	H7	C4	H13	107.523
H8	C2	H9	106.087	H10	C3	H11	106.087
H12	C4	H13	106.087

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

using model chemistry: B1B95/SDD

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	1.412
2	C	-1.180
3	C	-1.180
4	C	-1.180
5	H	0.235
6	H	0.235
7	H	0.235
8	H	0.237
9	H	0.237
10	H	0.237
11	H	0.237
12	H	0.237
13	H	0.237

<r²>	151.736
(<r²>)^1/2	12.318

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

using model chemistry: B1B95/SDD

States and conformations

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