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	hartrees
Energy at 0K	-24.389617
Energy at 298.15K	-24.396918
HF Energy	-24.389617
Nuclear repulsion energy	55.452919

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3091	2985	0.00
2	A'	3006	2903	0.00
3	A'	1472	1421	0.00
4	A'	1262	1218	0.00
5	A'	585	565	0.00
6	A'	509	491	0.00
7	A"	3064	2958	101.72
8	A"	1473	1422	11.59
9	A"	721	696	99.34
10	A"	182	175	6.93
11	A"	44	43	0.03
12	E'	3092	2986	58.78
12	E'	3092	2986	58.81
13	E'	3004	2901	18.41
13	E'	3004	2901	18.41
14	E'	1469	1419	3.42
14	E'	1469	1419	3.42
15	E'	1258	1215	57.02
15	E'	1258	1215	57.01
16	E'	759	733	167.00
16	E'	759	733	167.01
17	E'	637	615	12.38
17	E'	637	615	12.37
18	E'	167	162	4.25
18	E'	167	162	4.25
19	E"	3063	2958	0.00
19	E"	3063	2958	0.00
20	E"	1471	1420	0.00
20	E"	1471	1420	0.00
21	E"	555	536	0.00
21	E"	555	536	0.00
22	E"	15	14	0.00
22	E"	15	14	0.00

Atom	x (Å)	y (Å)	z (Å)
Al1	0.000	0.000	0.000
C2	0.000	1.983	0.000
C3	-1.717	-0.991	0.000
C4	1.717	-0.991	0.000
H5	-1.013	2.426	0.000
H6	-1.595	-2.090	0.000
H7	2.608	-0.336	0.000
H8	0.535	2.384	0.884
H9	0.535	2.384	-0.884
H10	-2.333	-0.729	0.884
H11	-2.333	-0.729	-0.884
H12	1.797	-1.656	0.884
H13	1.797	-1.656	-0.884

	Al1	C2	C3	C4	H5	H6	H7	H8	H9	H10	H11	H12	H13
Al1		1.9830	1.9830	1.9830	2.6291	2.6291	2.6291	2.5987	2.5987	2.5987	2.5987	2.5987	2.5987
C2	1.9830		3.4346	3.4346	1.1057	4.3743	3.4894	1.1087	1.1087	3.6844	3.6844	4.1535	4.1535
C3	1.9830	3.4346		3.4346	3.4894	1.1057	4.3743	4.1535	4.1535	1.1087	1.1087	3.6844	3.6844
C4	1.9830	3.4346	3.4346		4.3743	3.4894	1.1057	3.6844	3.6844	4.1535	4.1535	1.1087	1.1087
H5	2.6291	1.1057	3.4894	4.3743		4.5537	4.5537	1.7834	1.7834	3.5320	3.5320	5.0339	5.0339
H6	2.6291	4.3743	1.1057	3.4894	4.5537		4.5537	5.0339	5.0339	1.7834	1.7834	3.5320	3.5320
H7	2.6291	3.4894	4.3743	1.1057	4.5537	4.5537		3.5320	3.5320	5.0339	5.0339	1.7834	1.7834
H8	2.5987	1.1087	4.1535	3.6844	1.7834	5.0339	3.5320		1.7681	4.2326	4.5870	4.2326	4.5870
H9	2.5987	1.1087	4.1535	3.6844	1.7834	5.0339	3.5320	1.7681		4.5870	4.2326	4.5870	4.2326
H10	2.5987	3.6844	1.1087	4.1535	3.5320	1.7834	5.0339	4.2326	4.5870		1.7681	4.2326	4.5870
H11	2.5987	3.6844	1.1087	4.1535	3.5320	1.7834	5.0339	4.5870	4.2326	1.7681		4.5870	4.2326
H12	2.5987	4.1535	3.6844	1.1087	5.0339	3.5320	1.7834	4.2326	4.5870	4.2326	4.5870		1.7681
H13	2.5987	4.1535	3.6844	1.1087	5.0339	3.5320	1.7834	4.5870	4.2326	4.5870	4.2326	1.7681

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Al1	C2	H5	113.627	Al1	C2	H8	111.224
Al1	C2	H9	111.224	Al1	C3	H6	113.627
Al1	C3	H10	111.224	Al1	C3	H11	111.224
Al1	C4	H7	113.627	Al1	C4	H12	111.224
Al1	C4	H13	111.224	C2	Al1	C3	120.000
C2	Al1	C4	120.000	C3	Al1	C4	120.000
H5	C2	H8	107.292	H5	C2	H9	107.292
H6	C3	H10	107.292	H6	C3	H11	107.292
H7	C4	H12	107.292	H7	C4	H13	107.292
H8	C2	H9	105.765	H10	C3	H11	105.765
H12	C4	H13	105.765

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

using model chemistry: B3LYP/CEP-31G*

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	0.274
2	C	-0.594
3	C	-0.594
4	C	-0.594
5	H	0.168
6	H	0.168
7	H	0.168
8	H	0.167
9	H	0.167
10	H	0.167
11	H	0.167
12	H	0.167
13	H	0.167

<r²>	129.171
(<r²>)^1/2	11.365

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

using model chemistry: B3LYP/CEP-31G*

States and conformations

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