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	hartrees
Energy at 0K	-362.145991
Energy at 298.15K
HF Energy	-362.145991
Nuclear repulsion energy	149.549810

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3047	3003	0.00
2	A'	2959	2917	0.00
3	A'	1432	1412	0.00
4	A'	1219	1201	0.00
5	A'	592	584	0.00
6	A'	498	491	0.00
7	A"	3021	2977	56.01
8	A"	1435	1414	6.93
9	A"	717	707	89.02
10	A"	173	171	7.42
11	A"	18	18	0.00
12	E'	3047	3003	35.40
12	E'	3047	3003	35.36
13	E'	2958	2915	17.80
13	E'	2958	2915	17.81
14	E'	1430	1409	1.32
14	E'	1430	1409	1.32
15	E'	1215	1198	40.45
15	E'	1215	1198	40.41
16	E'	751	740	153.05
16	E'	751	740	153.08
17	E'	626	617	20.59
17	E'	626	617	20.59
18	E'	165	163	4.62
18	E'	165	163	4.62
19	E"	3021	2977	0.00
19	E"	3021	2977	0.00
20	E"	1433	1412	0.00
20	E"	1433	1412	0.00
21	E"	558	550	0.00
21	E"	558	550	0.00
22	E"	35i	34i	0.00
22	E"	35i	34i	0.00

Atom	x (Å)	y (Å)	z (Å)
Al1	0.000	0.000	0.000
C2	0.000	1.984	0.000
C3	-1.718	-0.992	0.000
C4	1.718	-0.992	0.000
H5	-1.008	2.418	0.000
H6	-1.590	-2.082	0.000
H7	2.598	-0.336	0.000
H8	0.531	2.381	0.878
H9	0.531	2.381	-0.878
H10	-2.327	-0.730	0.878
H11	-2.327	-0.730	-0.878
H12	1.796	-1.650	0.878
H13	1.796	-1.650	-0.878

	Al1	C2	C3	C4	H5	H6	H7	H8	H9	H10	H11	H12	H13
Al1		1.9842	1.9842	1.9842	2.6192	2.6192	2.6192	2.5922	2.5922	2.5922	2.5922	2.5922	2.5922
C2	1.9842		3.4368	3.4368	1.0970	4.3656	3.4830	1.0999	1.0999	3.6816	3.6816	4.1480	4.1480
C3	1.9842	3.4368		3.4368	3.4830	1.0970	4.3656	4.1480	4.1480	1.0999	1.0999	3.6816	3.6816
C4	1.9842	3.4368	3.4368		4.3656	3.4830	1.0970	3.6816	3.6816	4.1480	4.1480	1.0999	1.0999
H5	2.6192	1.0970	3.4830	4.3656		4.5367	4.5367	1.7721	1.7721	3.5242	3.5242	5.0179	5.0179
H6	2.6192	4.3656	1.0970	3.4830	4.5367		4.5367	5.0179	5.0179	1.7721	1.7721	3.5242	3.5242
H7	2.6192	3.4830	4.3656	1.0970	4.5367	4.5367		3.5242	3.5242	5.0179	5.0179	1.7721	1.7721
H8	2.5922	1.0999	4.1480	3.6816	1.7721	5.0179	3.5242		1.7555	4.2246	4.5748	4.2246	4.5748
H9	2.5922	1.0999	4.1480	3.6816	1.7721	5.0179	3.5242	1.7555		4.5748	4.2246	4.5748	4.2246
H10	2.5922	3.6816	1.0999	4.1480	3.5242	1.7721	5.0179	4.2246	4.5748		1.7555	4.2246	4.5748
H11	2.5922	3.6816	1.0999	4.1480	3.5242	1.7721	5.0179	4.5748	4.2246	1.7555		4.5748	4.2246
H12	2.5922	4.1480	3.6816	1.0999	5.0179	3.5242	1.7721	4.2246	4.5748	4.2246	4.5748		1.7555
H13	2.5922	4.1480	3.6816	1.0999	5.0179	3.5242	1.7721	4.5748	4.2246	4.5748	4.2246	1.7555

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Al1	C2	H5	113.270	Al1	C2	H8	111.118
Al1	C2	H9	111.118	Al1	C3	H6	113.270
Al1	C3	H10	111.118	Al1	C3	H11	111.118
Al1	C4	H7	113.270	Al1	C4	H12	111.118
Al1	C4	H13	111.118	C2	Al1	C3	120.000
C2	Al1	C4	120.000	C3	Al1	C4	120.000
H5	C2	H8	107.541	H5	C2	H9	107.541
H6	C3	H10	107.541	H6	C3	H11	107.541
H7	C4	H12	107.541	H7	C4	H13	107.541
H8	C2	H9	105.888	H10	C3	H11	105.888
H12	C4	H13	105.888

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

using model chemistry: B97D3/TZVP

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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Number	Element	Mulliken
1	Al	0.742
2	C	-0.613
3	C	-0.613
4	C	-0.613
5	H	0.124
6	H	0.124
7	H	0.124
8	H	0.121
9	H	0.121
10	H	0.121
11	H	0.121
12	H	0.121
13	H	0.121

<r²>	154.038
(<r²>)^1/2	12.411

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

using model chemistry: B97D3/TZVP

States and conformations

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