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	hartrees
Energy at 0K	-362.208711
Energy at 298.15K	-362.216074
HF Energy	-362.208711
Nuclear repulsion energy	150.672817

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3095	2987	0.00
2	A'	3011	2906	0.00
3	A'	1453	1402	0.00
4	A'	1242	1198	0.00
5	A'	587	567	0.00
6	A'	516	498	0.00
7	A"	3069	2961	43.39
8	A"	1459	1408	1.43
9	A"	721	695	99.16
10	A"	184	178	5.16
11	A"	45	44	0.00
12	E'	3096	2987	27.98
12	E'	3096	2987	28.00
13	E'	3010	2904	8.67
13	E'	3010	2904	8.67
14	E'	1452	1401	0.33
14	E'	1452	1401	0.33
15	E'	1238	1195	22.81
15	E'	1238	1195	22.81
16	E'	757	731	158.88
16	E'	757	731	158.89
17	E'	641	619	9.46
17	E'	641	619	9.45
18	E'	171	165	2.97
18	E'	171	165	2.97
19	E"	3068	2961	0.00
19	E"	3068	2961	0.00
20	E"	1456	1405	0.00
20	E"	1456	1405	0.00
21	E"	555	536	0.00
21	E"	555	536	0.00
22	E"	15	15	0.00
22	E"	15	15	0.00

Atom	x (Å)	y (Å)	z (Å)
Al1	0.000	0.000	0.000
C2	0.000	1.965	0.000
C3	-1.701	-0.982	0.000
C4	1.701	-0.982	0.000
H5	-1.002	2.407	0.000
H6	-1.583	-2.071	0.000
H7	2.585	-0.335	0.000
H8	0.531	2.362	0.875
H9	0.531	2.362	-0.875
H10	-2.311	-0.721	0.875
H11	-2.311	-0.721	-0.875
H12	1.780	-1.641	0.875
H13	1.780	-1.641	-0.875

	Al1	C2	C3	C4	H5	H6	H7	H8	H9	H10	H11	H12	H13
Al1		1.9646	1.9646	1.9646	2.6070	2.6070	2.6070	2.5742	2.5742	2.5742	2.5742	2.5742	2.5742
C2	1.9646		3.4028	3.4028	1.0953	4.3352	3.4604	1.0982	1.0982	3.6494	3.6494	4.1151	4.1151
C3	1.9646	3.4028		3.4028	3.4604	1.0953	4.3352	4.1151	4.1151	1.0982	1.0982	3.6494	3.6494
C4	1.9646	3.4028	3.4028		4.3352	3.4604	1.0953	3.6494	3.6494	4.1151	4.1151	1.0982	1.0982
H5	2.6070	1.0953	3.4604	4.3352		4.5154	4.5154	1.7662	1.7662	3.5014	3.5014	4.9888	4.9888
H6	2.6070	4.3352	1.0953	3.4604	4.5154		4.5154	4.9888	4.9888	1.7662	1.7662	3.5014	3.5014
H7	2.6070	3.4604	4.3352	1.0953	4.5154	4.5154		3.5014	3.5014	4.9888	4.9888	1.7662	1.7662
H8	2.5742	1.0982	4.1151	3.6494	1.7662	4.9888	3.5014		1.7505	4.1930	4.5437	4.1930	4.5437
H9	2.5742	1.0982	4.1151	3.6494	1.7662	4.9888	3.5014	1.7505		4.5437	4.1930	4.5437	4.1930
H10	2.5742	3.6494	1.0982	4.1151	3.5014	1.7662	4.9888	4.1930	4.5437		1.7505	4.1930	4.5437
H11	2.5742	3.6494	1.0982	4.1151	3.5014	1.7662	4.9888	4.5437	4.1930	1.7505		4.5437	4.1930
H12	2.5742	4.1151	3.6494	1.0982	4.9888	3.5014	1.7662	4.1930	4.5437	4.1930	4.5437		1.7505
H13	2.5742	4.1151	3.6494	1.0982	4.9888	3.5014	1.7662	4.5437	4.1930	4.5437	4.1930	1.7505

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Al1	C2	H5	113.803	Al1	C2	H8	111.201
Al1	C2	H9	111.201	Al1	C3	H6	113.803
Al1	C3	H10	111.201	Al1	C3	H11	111.201
Al1	C4	H7	113.803	Al1	C4	H12	111.201
Al1	C4	H13	111.201	C2	Al1	C3	120.000
C2	Al1	C4	120.000	C3	Al1	C4	120.000
H5	C2	H8	107.259	H5	C2	H9	107.259
H6	C3	H10	107.259	H6	C3	H11	107.259
H7	C4	H12	107.259	H7	C4	H13	107.259
H8	C2	H9	105.682	H10	C3	H11	105.682
H12	C4	H13	105.682

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

using model chemistry: B3LYP/6-31G(2df,p)

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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Calc. vs exp. Bad Vib. HF vs MP2 Bad scale factors Low excited states Oddities NaCN Is not linear FAQ Help Units Choose Units Energy Bond length Rotational Constant Moment of Inertia Dipole and Quadrupole Polarizability Explanations Hartree cm-1 Debye Credits Just show me Show me a calculated geometry Summary Using older interface Limit Basis sets Method options List Recent molecules Choose a few Molecules Number of atoms By heavy atoms Diatomics InChI Deuterated Dimers Geometry Point group Point group count Bonds types Isodesmic reactions Bad point group Multiple conformers, states Vibrations Big anharmonicity Energy Enthalpy at 0 Kelvin Similar molecules Similar Isomers Cis/trans Tautomers Multiple conformers, states Ions, Dipoles, etc. List Ions Ionization changes point group Dipole Quadrupole Polarizability Proton Affinities Index of CCCBDB Feedback Error form Wants
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Number	Element	Mulliken
1	Al	0.620
2	C	-0.583
3	C	-0.583
4	C	-0.583
5	H	0.127
6	H	0.127
7	H	0.127
8	H	0.125
9	H	0.125
10	H	0.125
11	H	0.125
12	H	0.125
13	H	0.125

<r²>	151.076
(<r²>)^1/2	12.291

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

using model chemistry: B3LYP/6-31G(2df,p)

States and conformations

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