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	hartrees
Energy at 0K	-357.546643
Energy at 298.15K	-357.554411
HF Energy	-357.546643
Nuclear repulsion energy	152.880320

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3399	3105	0.00
2	A'	3223	2945	0.00
3	A'	1678	1533	0.00
4	A'	1455	1329	0.00
5	A'	773	707	0.00
6	A'	621	567	0.00
7	A"	3381	3089	8.55
8	A"	1681	1536	2.53
9	A"	868	793	106.01
10	A"	212	194	16.43
11	A"	36	33	0.01
12	E'	3400	3106	7.23
12	E'	3400	3106	7.22
13	E'	3224	2945	0.24
13	E'	3224	2945	0.24
14	E'	1678	1533	1.85
14	E'	1678	1533	1.85
15	E'	1453	1328	10.23
15	E'	1453	1328	10.23
16	E'	916	837	143.46
16	E'	916	837	143.46
17	E'	789	721	5.24
17	E'	789	721	5.24
18	E'	204	186	8.36
18	E'	204	186	8.36
19	E"	3381	3088	0.00
19	E"	3381	3088	0.00
20	E"	1678	1533	0.00
20	E"	1678	1533	0.00
21	E"	736	673	0.00
21	E"	736	673	0.00
22	E"	17	15	0.00
22	E"	17	15	0.00

Atom	x (Å)	y (Å)	z (Å)
Al1	0.000	0.000	0.000
C2	0.000	1.922	0.000
C3	-1.665	-0.961	0.000
C4	1.665	-0.961	0.000
H5	-1.013	2.358	0.000
H6	-1.536	-2.056	0.000
H7	2.549	-0.302	0.000
H8	0.526	2.328	0.882
H9	0.526	2.328	-0.882
H10	-2.279	-0.709	0.882
H11	-2.279	-0.709	-0.882
H12	1.753	-1.620	0.882
H13	1.753	-1.620	-0.882

	Al1	C2	C3	C4	H5	H6	H7	H8	H9	H10	H11	H12	H13
Al1		1.9223	1.9223	1.9223	2.5663	2.5663	2.5663	2.5448	2.5448	2.5448	2.5448	2.5448	2.5448
C2	1.9223		3.3295	3.3295	1.1027	4.2645	3.3825	1.1044	1.1044	3.5911	3.5911	4.0495	4.0495
C3	1.9223	3.3295		3.3295	3.3825	1.1027	4.2645	4.0495	4.0495	1.1044	1.1044	3.5911	3.5911
C4	1.9223	3.3295	3.3295		4.2645	3.3825	1.1027	3.5911	3.5911	4.0495	4.0495	1.1044	1.1044
H5	2.5663	1.1027	3.3825	4.2645		4.4450	4.4450	1.7741	1.7741	3.4331	3.4331	4.9247	4.9247
H6	2.5663	4.2645	1.1027	3.3825	4.4450		4.4450	4.9247	4.9247	1.7741	1.7741	3.4331	3.4331
H7	2.5663	3.3825	4.2645	1.1027	4.4450	4.4450		3.4331	3.4331	4.9247	4.9247	1.7741	1.7741
H8	2.5448	1.1044	4.0495	3.5911	1.7741	4.9247	3.4331		1.7644	4.1345	4.4952	4.1345	4.4952
H9	2.5448	1.1044	4.0495	3.5911	1.7741	4.9247	3.4331	1.7644		4.4952	4.1345	4.4952	4.1345
H10	2.5448	3.5911	1.1044	4.0495	3.4331	1.7741	4.9247	4.1345	4.4952		1.7644	4.1345	4.4952
H11	2.5448	3.5911	1.1044	4.0495	3.4331	1.7741	4.9247	4.4952	4.1345	1.7644		4.4952	4.1345
H12	2.5448	4.0495	3.5911	1.1044	4.9247	3.4331	1.7741	4.1345	4.4952	4.1345	4.4952		1.7644
H13	2.5448	4.0495	3.5911	1.1044	4.9247	3.4331	1.7741	4.4952	4.1345	4.4952	4.1345	1.7644

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Al1	C2	H5	113.272	Al1	C2	H8	111.574
Al1	C2	H9	111.574	Al1	C3	H6	113.272
Al1	C3	H10	111.574	Al1	C3	H11	111.574
Al1	C4	H7	113.272	Al1	C4	H12	111.574
Al1	C4	H13	111.574	C2	Al1	C3	120.000
C2	Al1	C4	120.000	C3	Al1	C4	120.000
H5	C2	H8	106.989	H5	C2	H9	106.989
H6	C3	H10	106.989	H6	C3	H11	106.989
H7	C4	H12	106.989	H7	C4	H13	106.989
H8	C2	H9	106.024	H10	C3	H11	106.024
H12	C4	H13	106.024

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

using model chemistry: PBEPBE/STO-3G

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	0.900
2	C	-0.459
3	C	-0.459
4	C	-0.459
5	H	0.053
6	H	0.053
7	H	0.053
8	H	0.053
9	H	0.053
10	H	0.053
11	H	0.053
12	H	0.053
13	H	0.053

<r²>	144.874
(<r²>)^1/2	12.036

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

using model chemistry: PBEPBE/STO-3G

States and conformations

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