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	hartrees
Energy at 0K	-121.742961
Energy at 298.15K	-121.750598
HF Energy	-121.742961
Nuclear repulsion energy	83.152189

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3116	2995	0.00
2	A'	3011	2894	0.00
3	A'	1492	1434	0.00
4	A'	1302	1251	0.00
5	A'	652	626	0.00
6	A'	511	491	0.00
7	A"	3086	2967	81.02
8	A"	1490	1432	21.83
9	A"	799	768	148.81
10	A"	186	178	7.86
11	A"	51	49	0.21
12	E'	3117	2996	48.59
12	E'	3117	2996	48.58
13	E'	3009	2893	29.45
13	E'	3009	2893	29.46
14	E'	1487	1429	7.47
14	E'	1487	1429	7.47
15	E'	1299	1248	95.09
15	E'	1299	1248	95.10
16	E'	823	791	183.37
16	E'	823	791	183.35
17	E'	654	629	21.90
17	E'	654	629	21.90
18	E'	169	162	4.86
18	E'	169	162	4.86
19	E"	3086	2967	0.00
19	E"	3086	2967	0.00
20	E"	1489	1431	0.00
20	E"	1489	1431	0.00
21	E"	635	610	0.00
21	E"	635	610	0.00
22	E"	30	29	0.00
22	E"	30	29	0.00

Atom	x (Å)	y (Å)	z (Å)
Al1	0.000	0.000	0.000
C2	0.000	1.985	0.000
C3	-1.719	-0.993	0.000
C4	1.719	-0.993	0.000
H5	-1.014	2.410	0.000
H6	-1.580	-2.083	0.000
H7	2.594	-0.327	0.000
H8	0.528	2.385	0.881
H9	0.528	2.385	-0.881
H10	-2.330	-0.735	0.881
H11	-2.330	-0.735	-0.881
H12	1.802	-1.650	0.881
H13	1.802	-1.650	-0.881

	Al1	C2	C3	C4	H5	H6	H7	H8	H9	H10	H11	H12	H13
Al1		1.9853	1.9853	1.9853	2.6141	2.6141	2.6141	2.5970	2.5970	2.5970	2.5970	2.5970	2.5970
C2	1.9853		3.4386	3.4386	1.0989	4.3640	3.4746	1.1021	1.1021	3.6886	3.6886	4.1517	4.1517
C3	1.9853	3.4386		3.4386	3.4746	1.0989	4.3640	4.1517	4.1517	1.1021	1.1021	3.6886	3.6886
C4	1.9853	3.4386	3.4386		4.3640	3.4746	1.0989	3.6886	3.6886	4.1517	4.1517	1.1021	1.1021
H5	2.6141	1.0989	3.4746	4.3640		4.5278	4.5278	1.7757	1.7757	3.5212	3.5212	5.0181	5.0181
H6	2.6141	4.3640	1.0989	3.4746	4.5278		4.5278	5.0181	5.0181	1.7757	1.7757	3.5212	3.5212
H7	2.6141	3.4746	4.3640	1.0989	4.5278	4.5278		3.5212	3.5212	5.0181	5.0181	1.7757	1.7757
H8	2.5970	1.1021	4.1517	3.6886	1.7757	5.0181	3.5212		1.7618	4.2314	4.5835	4.2314	4.5835
H9	2.5970	1.1021	4.1517	3.6886	1.7757	5.0181	3.5212	1.7618		4.5835	4.2314	4.5835	4.2314
H10	2.5970	3.6886	1.1021	4.1517	3.5212	1.7757	5.0181	4.2314	4.5835		1.7618	4.2314	4.5835
H11	2.5970	3.6886	1.1021	4.1517	3.5212	1.7757	5.0181	4.5835	4.2314	1.7618		4.5835	4.2314
H12	2.5970	4.1517	3.6886	1.1021	5.0181	3.5212	1.7757	4.2314	4.5835	4.2314	4.5835		1.7618
H13	2.5970	4.1517	3.6886	1.1021	5.0181	3.5212	1.7757	4.5835	4.2314	4.5835	4.2314	1.7618

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Al1	C2	H5	112.713	Al1	C2	H8	111.281
Al1	C2	H9	111.281	Al1	C3	H6	112.713
Al1	C3	H10	111.281	Al1	C3	H11	111.281
Al1	C4	H7	112.713	Al1	C4	H12	111.281
Al1	C4	H13	111.281	C2	Al1	C3	120.000
C2	Al1	C4	120.000	C3	Al1	C4	120.000
H5	C2	H8	107.561	H5	C2	H9	107.561
H6	C3	H10	107.561	H6	C3	H11	107.561
H7	C4	H12	107.561	H7	C4	H13	107.561
H8	C2	H9	106.121	H10	C3	H11	106.121
H12	C4	H13	106.121

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

using model chemistry: B3LYP/LANL2DZ

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	1.252
2	C	-1.100
3	C	-1.100
4	C	-1.100
5	H	0.226
6	H	0.226
7	H	0.226
8	H	0.228
9	H	0.228
10	H	0.228
11	H	0.228
12	H	0.228
13	H	0.228

<r²>	152.911
(<r²>)^1/2	12.366

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

using model chemistry: B3LYP/LANL2DZ

States and conformations

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