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	hartrees
Energy at 0K	-362.238649
Energy at 298.15K	-362.246100
HF Energy	-362.238649
Nuclear repulsion energy	150.217546

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3078	2975	0.00
2	A'	3003	2902	0.00
3	A'	1481	1431	0.00
4	A'	1277	1234	0.00
5	A'	607	586	0.00
6	A'	512	495	0.00
7	A"	3051	2948	64.92
8	A"	1484	1434	10.74
9	A"	743	718	105.60
10	A"	184	178	8.62
11	A"	50	48	0.01
12	E'	3079	2975	38.45
12	E'	3079	2975	38.47
13	E'	3001	2900	18.00
13	E'	3001	2900	18.00
14	E'	1479	1429	1.94
14	E'	1479	1429	1.94
15	E'	1274	1231	46.51
15	E'	1274	1231	46.52
16	E'	775	749	159.14
16	E'	775	749	159.14
17	E'	643	621	17.67
17	E'	643	621	17.67
18	E'	168	162	4.57
18	E'	168	162	4.57
19	E"	3051	2948	0.00
19	E"	3051	2948	0.00
20	E"	1482	1432	0.00
20	E"	1482	1432	0.00
21	E"	579	560	0.00
21	E"	579	560	0.00
22	E"	20	19	0.00
22	E"	20	19	0.00

Atom	x (Å)	y (Å)	z (Å)
Al1	0.000	0.000	0.000
C2	0.000	1.972	0.000
C3	-1.708	-0.986	0.000
C4	1.708	-0.986	0.000
H5	-1.002	2.413	0.000
H6	-1.589	-2.074	0.000
H7	2.591	-0.339	0.000
H8	0.528	2.377	0.873
H9	0.528	2.377	-0.873
H10	-2.323	-0.731	0.873
H11	-2.323	-0.731	-0.873
H12	1.794	-1.646	0.873
H13	1.794	-1.646	-0.873

	Al1	C2	C3	C4	H5	H6	H7	H8	H9	H10	H11	H12	H13
Al1		1.9723	1.9723	1.9723	2.6129	2.6129	2.6129	2.5865	2.5865	2.5865	2.5865	2.5865	2.5865
C2	1.9723		3.4161	3.4161	1.0945	4.3473	3.4720	1.0974	1.0974	3.6692	3.6692	4.1319	4.1319
C3	1.9723	3.4161		3.4161	3.4720	1.0945	4.3473	4.1319	4.1319	1.0974	1.0974	3.6692	3.6692
C4	1.9723	3.4161	3.4161		4.3473	3.4720	1.0945	3.6692	3.6692	4.1319	4.1319	1.0974	1.0974
H5	2.6129	1.0945	3.4720	4.3473		4.5257	4.5257	1.7618	1.7618	3.5202	3.5202	5.0056	5.0056
H6	2.6129	4.3473	1.0945	3.4720	4.5257		4.5257	5.0056	5.0056	1.7618	1.7618	3.5202	3.5202
H7	2.6129	3.4720	4.3473	1.0945	4.5257	4.5257		3.5202	3.5202	5.0056	5.0056	1.7618	1.7618
H8	2.5865	1.0974	4.1319	3.6692	1.7618	5.0056	3.5202		1.7454	4.2173	4.5642	4.2173	4.5642
H9	2.5865	1.0974	4.1319	3.6692	1.7618	5.0056	3.5202	1.7454		4.5642	4.2173	4.5642	4.2173
H10	2.5865	3.6692	1.0974	4.1319	3.5202	1.7618	5.0056	4.2173	4.5642		1.7454	4.2173	4.5642
H11	2.5865	3.6692	1.0974	4.1319	3.5202	1.7618	5.0056	4.5642	4.2173	1.7454		4.5642	4.2173
H12	2.5865	4.1319	3.6692	1.0974	5.0056	3.5202	1.7618	4.2173	4.5642	4.2173	4.5642		1.7454
H13	2.5865	4.1319	3.6692	1.0974	5.0056	3.5202	1.7618	4.5642	4.2173	4.5642	4.2173	1.7454

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Al1	C2	H5	113.762	Al1	C2	H8	111.633
Al1	C2	H9	111.633	Al1	C3	H6	113.762
Al1	C3	H10	111.633	Al1	C3	H11	111.633
Al1	C4	H7	113.762	Al1	C4	H12	111.633
Al1	C4	H13	111.633	C2	Al1	C3	120.000
C2	Al1	C4	120.000	C3	Al1	C4	120.000
H5	C2	H8	106.981	H5	C2	H9	106.981
H6	C3	H10	106.981	H6	C3	H11	106.981
H7	C4	H12	106.981	H7	C4	H13	106.981
H8	C2	H9	105.347	H10	C3	H11	105.347
H12	C4	H13	105.347

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

using model chemistry: B3LYP/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	1.128
2	C	-1.046
3	C	-1.046
4	C	-1.046
5	H	0.228
6	H	0.228
7	H	0.228
8	H	0.221
9	H	0.221
10	H	0.221
11	H	0.221
12	H	0.221
13	H	0.221

<r²>	152.896
(<r²>)^1/2	12.365

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

using model chemistry: B3LYP/6-311G*

States and conformations

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