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	hartrees
Energy at 0K	-360.794529
Energy at 298.15K	-360.802246
HF Energy	-360.794529
Nuclear repulsion energy	150.327307

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3207	2900	0.00
2	A'	3136	2836	0.00
3	A'	1588	1436	0.00
4	A'	1383	1251	0.00
5	A'	642	581	0.00
6	A'	533	482	0.00
7	A"	3179	2875	109.00
8	A"	1591	1439	8.99
9	A"	782	707	113.25
10	A"	196	177	15.18
11	A"	52	47	0.02
12	E'	3208	2901	57.41
12	E'	3208	2901	57.41
13	E'	3133	2834	30.84
13	E'	3133	2834	30.84
14	E'	1586	1434	1.47
14	E'	1586	1434	1.47
15	E'	1379	1247	47.41
15	E'	1379	1247	47.41
16	E'	817	738	160.46
16	E'	817	738	160.46
17	E'	669	605	23.01
17	E'	669	605	23.01
18	E'	175	158	6.47
18	E'	175	158	6.47
19	E"	3179	2875	0.00
19	E"	3179	2875	0.00
20	E"	1590	1438	0.00
20	E"	1590	1438	0.00
21	E"	611	553	0.00
21	E"	611	553	0.00
22	E"	30	27	0.00
22	E"	30	27	0.00

Atom	x (Å)	y (Å)	z (Å)
Al1	0.000	0.000	0.000
C2	0.000	1.975	0.000
C3	-1.711	-0.988	0.000
C4	1.711	-0.988	0.000
H5	-0.996	2.410	0.000
H6	-1.589	-2.068	0.000
H7	2.585	-0.342	0.000
H8	0.523	2.377	0.868
H9	0.523	2.377	-0.868
H10	-2.320	-0.735	0.868
H11	-2.320	-0.735	-0.868
H12	1.797	-1.641	0.868
H13	1.797	-1.641	-0.868

	Al1	C2	C3	C4	H5	H6	H7	H8	H9	H10	H11	H12	H13
Al1		1.9753	1.9753	1.9753	2.6078	2.6078	2.6078	2.5836	2.5836	2.5836	2.5836	2.5836	2.5836
C2	1.9753		3.4213	3.4213	1.0871	4.3441	3.4718	1.0900	1.0900	3.6718	3.6718	4.1304	4.1304
C3	1.9753	3.4213		3.4213	3.4718	1.0871	4.3441	4.1304	4.1304	1.0900	1.0900	3.6718	3.6718
C4	1.9753	3.4213	3.4213		4.3441	3.4718	1.0871	3.6718	3.6718	4.1304	4.1304	1.0900	1.0900
H5	2.6078	1.0871	3.4718	4.3441		4.5168	4.5168	1.7501	1.7501	3.5211	3.5211	4.9966	4.9966
H6	2.6078	4.3441	1.0871	3.4718	4.5168		4.5168	4.9966	4.9966	1.7501	1.7501	3.5211	3.5211
H7	2.6078	3.4718	4.3441	1.0871	4.5168	4.5168		3.5211	3.5211	4.9966	4.9966	1.7501	1.7501
H8	2.5836	1.0900	4.1304	3.6718	1.7501	4.9966	3.5211		1.7362	4.2147	4.5584	4.2147	4.5584
H9	2.5836	1.0900	4.1304	3.6718	1.7501	4.9966	3.5211	1.7362		4.5584	4.2147	4.5584	4.2147
H10	2.5836	3.6718	1.0900	4.1304	3.5211	1.7501	4.9966	4.2147	4.5584		1.7362	4.2147	4.5584
H11	2.5836	3.6718	1.0900	4.1304	3.5211	1.7501	4.9966	4.5584	4.2147	1.7362		4.5584	4.2147
H12	2.5836	4.1304	3.6718	1.0900	4.9966	3.5211	1.7501	4.2147	4.5584	4.2147	4.5584		1.7362
H13	2.5836	4.1304	3.6718	1.0900	4.9966	3.5211	1.7501	4.5584	4.2147	4.5584	4.2147	1.7362

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Al1	C2	H5	113.567	Al1	C2	H8	111.602
Al1	C2	H9	111.602	Al1	C3	H6	113.567
Al1	C3	H10	111.602	Al1	C3	H11	111.602
Al1	C4	H7	113.567	Al1	C4	H12	111.602
Al1	C4	H13	111.602	C2	Al1	C3	120.000
C2	Al1	C4	120.000	C3	Al1	C4	120.000
H5	C2	H8	107.006	H5	C2	H9	107.006
H6	C3	H10	107.006	H6	C3	H11	107.006
H7	C4	H12	107.006	H7	C4	H13	107.006
H8	C2	H9	105.589	H10	C3	H11	105.589
H12	C4	H13	105.589

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

using model chemistry: HF/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	1.271
2	C	-1.103
3	C	-1.103
4	C	-1.103
5	H	0.231
6	H	0.231
7	H	0.231
8	H	0.224
9	H	0.224
10	H	0.224
11	H	0.224
12	H	0.224
13	H	0.224

<r²>	153.232
(<r²>)^1/2	12.379

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

using model chemistry: HF/6-311G*

States and conformations

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