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	hartrees
Energy at 0K	-362.065133
Energy at 298.15K	-362.072738
HF Energy	-362.065133
Nuclear repulsion energy	149.991686

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3155	3009	0.00
2	A'	3045	2904	0.00
3	A'	1500	1431	0.00
4	A'	1305	1245	0.00
5	A'	658	627	0.00
6	A'	515	491	0.00
7	A"	3126	2982	47.30
8	A"	1501	1432	14.31
9	A"	805	768	139.17
10	A"	185	176	6.60
11	A"	42	40	0.15
12	E'	3156	3009	29.53
12	E'	3156	3009	29.55
13	E'	3043	2902	13.53
13	E'	3043	2902	13.51
14	E'	1497	1428	4.24
14	E'	1497	1428	4.24
15	E'	1301	1240	64.34
15	E'	1301	1240	64.27
16	E'	826	788	168.45
16	E'	826	788	168.45
17	E'	662	632	13.98
17	E'	662	632	13.98
18	E'	165	158	3.61
18	E'	165	158	3.61
19	E"	3126	2982	0.00
19	E"	3126	2982	0.00
20	E"	1500	1431	0.00
20	E"	1500	1431	0.00
21	E"	642	612	0.00
21	E"	642	612	0.00
22	E"	18	17	0.00
22	E"	18	17	0.00

Atom	x (Å)	y (Å)	z (Å)
Al1	0.000	0.000	0.000
C2	0.000	1.979	0.000
C3	-1.714	-0.990	0.000
C4	1.714	-0.990	0.000
H5	-1.012	2.396	0.000
H6	-1.569	-2.074	0.000
H7	2.581	-0.322	0.000
H8	0.527	2.371	0.880
H9	0.527	2.371	-0.880
H10	-2.317	-0.729	0.880
H11	-2.317	-0.729	-0.880
H12	1.789	-1.642	0.880
H13	1.789	-1.642	-0.880

	Al1	C2	C3	C4	H5	H6	H7	H8	H9	H10	H11	H12	H13
Al1		1.9793	1.9793	1.9793	2.6012	2.6012	2.6012	2.5829	2.5829	2.5829	2.5829	2.5829	2.5829
C2	1.9793		3.4283	3.4283	1.0943	4.3469	3.4582	1.0976	1.0976	3.6707	3.6707	4.1338	4.1338
C3	1.9793	3.4283		3.4283	3.4582	1.0943	4.3469	4.1338	4.1338	1.0976	1.0976	3.6707	3.6707
C4	1.9793	3.4283	3.4283		4.3469	3.4582	1.0943	3.6707	3.6707	4.1338	4.1338	1.0976	1.0976
H5	2.6012	1.0943	3.4582	4.3469		4.5055	4.5055	1.7727	1.7727	3.4990	3.4990	4.9928	4.9928
H6	2.6012	4.3469	1.0943	3.4582	4.5055		4.5055	4.9928	4.9928	1.7727	1.7727	3.4990	3.4990
H7	2.6012	3.4582	4.3469	1.0943	4.5055	4.5055		3.4990	3.4990	4.9928	4.9928	1.7727	1.7727
H8	2.5829	1.0976	4.1338	3.6707	1.7727	4.9928	3.4990		1.7590	4.2064	4.5594	4.2064	4.5594
H9	2.5829	1.0976	4.1338	3.6707	1.7727	4.9928	3.4990	1.7590		4.5594	4.2064	4.5594	4.2064
H10	2.5829	3.6707	1.0976	4.1338	3.4990	1.7727	4.9928	4.2064	4.5594		1.7590	4.2064	4.5594
H11	2.5829	3.6707	1.0976	4.1338	3.4990	1.7727	4.9928	4.5594	4.2064	1.7590		4.5594	4.2064
H12	2.5829	4.1338	3.6707	1.0976	4.9928	3.4990	1.7727	4.2064	4.5594	4.2064	4.5594		1.7590
H13	2.5829	4.1338	3.6707	1.0976	4.9928	3.4990	1.7727	4.5594	4.2064	4.5594	4.2064	1.7590

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Al1	C2	H5	112.405	Al1	C2	H8	110.890
Al1	C2	H9	110.890	Al1	C3	H6	112.405
Al1	C3	H10	110.890	Al1	C3	H11	110.890
Al1	C4	H7	112.405	Al1	C4	H12	110.890
Al1	C4	H13	110.890	C2	Al1	C3	120.000
C2	Al1	C4	120.000	C3	Al1	C4	120.000
H5	C2	H8	107.948	H5	C2	H9	107.948
H6	C3	H10	107.948	H6	C3	H11	107.948
H7	C4	H12	107.948	H7	C4	H13	107.948
H8	C2	H9	106.516	H10	C3	H11	106.516
H12	C4	H13	106.516

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

using model chemistry: B1B95/6-31G

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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Number	Element	Mulliken
1	Al	0.994
2	C	-0.849
3	C	-0.849
4	C	-0.849
5	H	0.173
6	H	0.173
7	H	0.173
8	H	0.172
9	H	0.172
10	H	0.172
11	H	0.172
12	H	0.172
13	H	0.172

	x	y	z
x	8.612	-0.000	0.000
y	-0.000	8.611	0.000
z	0.000	0.000	6.513

<r²>	152.429
(<r²>)^1/2	12.346

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

using model chemistry: B1B95/6-31G

States and conformations

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