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	hartrees
Energy at 0K	-362.089915
Energy at 298.15K	-362.097193
HF Energy	-362.089915
Nuclear repulsion energy	149.713043

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3017	3000	0.00
2	A'	2938	2922	0.00
3	A'	1419	1411	0.00
4	A'	1210	1203	0.00
5	A'	576	573	0.00
6	A'	499	496	0.00
7	A"	2990	2973	47.10
8	A"	1425	1417	0.73
9	A"	707	703	91.47
10	A"	179	178	3.85
11	A"	47	46	0.00
12	E'	3017	3001	31.56
12	E'	3017	3001	31.58
13	E'	2936	2920	10.63
13	E'	2936	2920	10.63
14	E'	1418	1410	0.47
14	E'	1418	1410	0.47
15	E'	1205	1199	14.16
15	E'	1205	1199	14.15
16	E'	740	736	151.20
16	E'	740	736	151.21
17	E'	623	620	11.21
17	E'	623	620	11.21
18	E'	169	168	2.53
18	E'	169	168	2.54
19	E"	2990	2973	0.00
19	E"	2990	2973	0.00
20	E"	1421	1413	0.00
20	E"	1421	1413	0.00
21	E"	544	541	0.00
21	E"	544	541	0.00
22	E"	20	20	0.00
22	E"	20	20	0.00

Atom	x (Å)	y (Å)	z (Å)
Al1	0.000	0.000	0.000
C2	0.000	1.977	0.000
C3	-1.712	-0.988	0.000
C4	1.712	-0.988	0.000
H5	-1.007	2.424	0.000
H6	-1.596	-2.085	0.000
H7	2.603	-0.340	0.000
H8	0.535	2.378	0.880
H9	0.535	2.378	-0.880
H10	-2.327	-0.726	0.880
H11	-2.327	-0.726	-0.880
H12	1.792	-1.652	0.880
H13	1.792	-1.652	-0.880

	Al1	C2	C3	C4	H5	H6	H7	H8	H9	H10	H11	H12	H13
Al1		1.9769	1.9769	1.9769	2.6251	2.6251	2.6251	2.5914	2.5914	2.5914	2.5914	2.5914	2.5914
C2	1.9769		3.4242	3.4242	1.1022	4.3637	3.4846	1.1052	1.1052	3.6735	3.6735	4.1420	4.1420
C3	1.9769	3.4242		3.4242	3.4846	1.1022	4.3637	4.1420	4.1420	1.1052	1.1052	3.6735	3.6735
C4	1.9769	3.4242	3.4242		4.3637	3.4846	1.1022	3.6735	3.6735	4.1420	4.1420	1.1052	1.1052
H5	2.6251	1.1022	3.4846	4.3637		4.5469	4.5469	1.7762	1.7762	3.5268	3.5268	5.0227	5.0227
H6	2.6251	4.3637	1.1022	3.4846	4.5469		4.5469	5.0227	5.0227	1.7762	1.7762	3.5268	3.5268
H7	2.6251	3.4846	4.3637	1.1022	4.5469	4.5469		3.5268	3.5268	5.0227	5.0227	1.7762	1.7762
H8	2.5914	1.1052	4.1420	3.6735	1.7762	5.0227	3.5268		1.7604	4.2217	4.5740	4.2217	4.5740
H9	2.5914	1.1052	4.1420	3.6735	1.7762	5.0227	3.5268	1.7604		4.5740	4.2217	4.5740	4.2217
H10	2.5914	3.6735	1.1052	4.1420	3.5268	1.7762	5.0227	4.2217	4.5740		1.7604	4.2217	4.5740
H11	2.5914	3.6735	1.1052	4.1420	3.5268	1.7762	5.0227	4.5740	4.2217	1.7604		4.5740	4.2217
H12	2.5914	4.1420	3.6735	1.1052	5.0227	3.5268	1.7762	4.2217	4.5740	4.2217	4.5740		1.7604
H13	2.5914	4.1420	3.6735	1.1052	5.0227	3.5268	1.7762	4.5740	4.2217	4.5740	4.2217	1.7604

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Al1	C2	H5	113.936	Al1	C2	H8	111.278
Al1	C2	H9	111.278	Al1	C3	H6	113.936
Al1	C3	H10	111.278	Al1	C3	H11	111.278
Al1	C4	H7	113.936	Al1	C4	H12	111.278
Al1	C4	H13	111.278	C2	Al1	C3	120.000
C2	Al1	C4	120.000	C3	Al1	C4	120.000
H5	C2	H8	107.154	H5	C2	H9	107.154
H6	C3	H10	107.154	H6	C3	H11	107.154
H7	C4	H12	107.154	H7	C4	H13	107.154
H8	C2	H9	105.577	H10	C3	H11	105.577
H12	C4	H13	105.577

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

using model chemistry: BLYP/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	0.587
2	C	-0.532
3	C	-0.532
4	C	-0.532
5	H	0.114
6	H	0.114
7	H	0.114
8	H	0.112
9	H	0.112
10	H	0.112
11	H	0.112
12	H	0.112
13	H	0.112

<r²>	152.839
(<r²>)^1/2	12.363

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

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

States and conformations

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