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	hartrees
Energy at 0K	-361.884379
Energy at 298.15K	-361.891729
HF Energy	-361.884379
Nuclear repulsion energy	149.652660

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3033	3002	0.00
2	A'	2948	2917	0.00
3	A'	1433	1418	0.00
4	A'	1224	1211	0.00
5	A'	585	579	0.00
6	A'	503	498	0.00
7	A"	3007	2976	48.51
8	A"	1435	1420	11.71
9	A"	722	714	105.99
10	A"	177	175	6.02
11	A"	54	54	0.04
12	E'	3034	3002	31.66
12	E'	3034	3002	31.67
13	E'	2946	2915	14.39
13	E'	2946	2915	14.39
14	E'	1430	1415	2.14
14	E'	1430	1415	2.15
15	E'	1221	1208	46.06
15	E'	1221	1208	46.06
16	E'	754	746	161.36
16	E'	754	746	161.36
17	E'	631	624	12.83
17	E'	631	624	12.84
18	E'	161	160	3.58
18	E'	161	160	3.58
19	E"	3007	2975	0.00
19	E"	3007	2975	0.00
20	E"	1432	1418	0.00
20	E"	1432	1418	0.00
21	E"	559	553	0.00
21	E"	559	553	0.00
22	E"	27	27	0.00
22	E"	27	27	0.00

Atom	x (Å)	y (Å)	z (Å)
Al1	0.000	0.000	0.000
C2	0.000	1.978	0.000
C3	-1.713	-0.989	0.000
C4	1.713	-0.989	0.000
H5	-1.008	2.422	0.000
H6	-1.594	-2.084	0.000
H7	2.602	-0.338	0.000
H8	0.533	2.384	0.878
H9	0.533	2.384	-0.878
H10	-2.331	-0.731	0.878
H11	-2.331	-0.731	-0.878
H12	1.798	-1.654	0.878
H13	1.798	-1.654	-0.878

	Al1	C2	C3	C4	H5	H6	H7	H8	H9	H10	H11	H12	H13
Al1		1.9777	1.9777	1.9777	2.6239	2.6239	2.6239	2.5963	2.5963	2.5963	2.5963	2.5963	2.5963
C2	1.9777		3.4254	3.4254	1.1020	4.3635	3.4832	1.1049	1.1049	3.6799	3.6799	4.1465	4.1465
C3	1.9777	3.4254		3.4254	3.4832	1.1020	4.3635	4.1465	4.1465	1.1048	1.1048	3.6799	3.6799
C4	1.9777	3.4254	3.4254		4.3635	3.4832	1.1020	3.6799	3.6799	4.1465	4.1465	1.1049	1.1049
H5	2.6239	1.1020	3.4832	4.3635		4.5446	4.5446	1.7742	1.7742	3.5304	3.5304	5.0263	5.0263
H6	2.6239	4.3635	1.1020	3.4832	4.5446		4.5446	5.0263	5.0263	1.7742	1.7742	3.5304	3.5304
H7	2.6239	3.4832	4.3635	1.1020	4.5446	4.5446		3.5304	3.5304	5.0263	5.0263	1.7742	1.7742
H8	2.5963	1.1049	4.1465	3.6799	1.7742	5.0263	3.5304		1.7563	4.2318	4.5818	4.2318	4.5818
H9	2.5963	1.1049	4.1465	3.6799	1.7742	5.0263	3.5304	1.7563		4.5818	4.2318	4.5818	4.2318
H10	2.5963	3.6799	1.1048	4.1465	3.5304	1.7742	5.0263	4.2318	4.5818		1.7563	4.2318	4.5818
H11	2.5963	3.6799	1.1048	4.1465	3.5304	1.7742	5.0263	4.5818	4.2318	1.7563		4.5818	4.2318
H12	2.5963	4.1465	3.6799	1.1049	5.0263	3.5304	1.7742	4.2318	4.5818	4.2318	4.5818		1.7563
H13	2.5963	4.1465	3.6799	1.1049	5.0263	3.5304	1.7742	4.5818	4.2318	4.5818	4.2318	1.7563

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Al1	C2	H5	113.803	Al1	C2	H8	111.601
Al1	C2	H9	111.601	Al1	C3	H6	113.803
Al1	C3	H10	111.601	Al1	C3	H11	111.601
Al1	C4	H7	113.803	Al1	C4	H12	111.601
Al1	C4	H13	111.601	C2	Al1	C3	120.000
C2	Al1	C4	120.000	C3	Al1	C4	120.000
H5	C2	H8	107.026	H5	C2	H9	107.026
H6	C3	H10	107.026	H6	C3	H11	107.026
H7	C4	H12	107.026	H7	C4	H13	107.026
H8	C2	H9	105.278	H10	C3	H11	105.278
H12	C4	H13	105.278

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

using model chemistry: PBEPBE/6-311G*

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	1.067
2	C	-1.067
3	C	-1.067
4	C	-1.067
5	H	0.242
6	H	0.242
7	H	0.242
8	H	0.235
9	H	0.235
10	H	0.235
11	H	0.235
12	H	0.235
13	H	0.235

<r²>	153.583
(<r²>)^1/2	12.393

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

using model chemistry: PBEPBE/6-311G*

States and conformations

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