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	hartrees
Energy at 0K	-362.188911
Energy at 298.15K
HF Energy	-362.188911
Nuclear repulsion energy	150.685262

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3125	2985	0.00
2	A'	3036	2900	0.00
3	A'	1454	1389	0.00
4	A'	1248	1192	0.00
5	A'	594	567	0.00
6	A'	525	501	0.00
7	A"	3105	2965	44.31
8	A"	1466	1400	11.55
9	A"	728	695	99.03
10	A"	183	174	8.85
11	A"	96i	91i	0.00
12	E'	3126	2985	26.18
12	E'	3126	2985	26.21
13	E'	3035	2899	12.75
13	E'	3035	2899	12.70
14	E'	1452	1387	2.61
14	E'	1452	1387	2.60
15	E'	1246	1190	61.91
15	E'	1246	1190	61.89
16	E'	766	732	166.53
16	E'	766	732	166.42
17	E'	651	621	10.80
17	E'	651	621	10.78
18	E'	163	155	4.79
18	E'	163	155	4.78
19	E"	3105	2965	0.00
19	E"	3105	2965	0.00
20	E"	1465	1399	0.00
20	E"	1465	1399	0.00
21	E"	564	539	0.00
21	E"	564	539	0.00
22	E"	97i	93i	0.00
22	E"	97i	93i	0.00

Atom	x (Å)	y (Å)	z (Å)
Al1	0.000	0.000	0.000
C2	0.000	1.967	0.000
C3	-1.704	-0.984	0.000
C4	1.704	-0.984	0.000
H5	-1.005	2.396	0.000
H6	-1.573	-2.068	0.000
H7	2.578	-0.328	0.000
H8	0.528	2.361	0.875
H9	0.528	2.361	-0.875
H10	-2.309	-0.723	0.875
H11	-2.309	-0.723	-0.875
H12	1.781	-1.638	0.875
H13	1.781	-1.638	-0.875

	Al1	C2	C3	C4	H5	H6	H7	H8	H9	H10	H11	H12	H13
Al1		1.9672	1.9672	1.9672	2.5983	2.5983	2.5983	2.5726	2.5726	2.5726	2.5726	2.5726	2.5726
C2	1.9672		3.4073	3.4073	1.0926	4.3311	3.4512	1.0950	1.0950	3.6516	3.6516	4.1148	4.1148
C3	1.9672	3.4073		3.4073	3.4512	1.0926	4.3311	4.1148	4.1148	1.0950	1.0950	3.6516	3.6516
C4	1.9672	3.4073	3.4073		4.3311	3.4512	1.0926	3.6516	3.6516	4.1148	4.1148	1.0950	1.0950
H5	2.5983	1.0926	3.4512	4.3311		4.5003	4.5003	1.7652	1.7652	3.4923	3.4923	4.9796	4.9796
H6	2.5983	4.3311	1.0926	3.4512	4.5003		4.5003	4.9796	4.9796	1.7652	1.7652	3.4923	3.4923
H7	2.5983	3.4512	4.3311	1.0926	4.5003	4.5003		3.4923	3.4923	4.9796	4.9796	1.7652	1.7652
H8	2.5726	1.0950	4.1148	3.6516	1.7652	4.9796	3.4923		1.7496	4.1904	4.5410	4.1904	4.5410
H9	2.5726	1.0950	4.1148	3.6516	1.7652	4.9796	3.4923	1.7496		4.5410	4.1904	4.5410	4.1904
H10	2.5726	3.6516	1.0950	4.1148	3.4923	1.7652	4.9796	4.1904	4.5410		1.7496	4.1904	4.5410
H11	2.5726	3.6516	1.0950	4.1148	3.4923	1.7652	4.9796	4.5410	4.1904	1.7496		4.5410	4.1904
H12	2.5726	4.1148	3.6516	1.0950	4.9796	3.4923	1.7652	4.1904	4.5410	4.1904	4.5410		1.7496
H13	2.5726	4.1148	3.6516	1.0950	4.9796	3.4923	1.7652	4.5410	4.1904	4.5410	4.1904	1.7496

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Al1	C2	H5	113.113	Al1	C2	H8	111.078
Al1	C2	H9	111.078	Al1	C3	H6	113.113
Al1	C3	H10	111.078	Al1	C3	H11	111.078
Al1	C4	H7	113.113	Al1	C4	H12	111.078
Al1	C4	H13	111.078	C2	Al1	C3	120.000
C2	Al1	C4	120.000	C3	Al1	C4	120.000
H5	C2	H8	107.592	H5	C2	H9	107.592
H6	C3	H10	107.592	H6	C3	H11	107.592
H7	C4	H12	107.592	H7	C4	H13	107.592
H8	C2	H9	106.049	H10	C3	H11	106.049
H12	C4	H13	106.049

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

using model chemistry: wB97X-D/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	0.756
2	C	-0.639
3	C	-0.639
4	C	-0.639
5	H	0.131
6	H	0.131
7	H	0.131
8	H	0.128
9	H	0.128
10	H	0.128
11	H	0.128
12	H	0.128
13	H	0.128

	x	y	z
x	9.603	0.001	0.000
y	0.001	9.601	0.000
z	0.000	0.000	7.402

<r²>	151.680
(<r²>)^1/2	12.316

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

using model chemistry: wB97X-D/TZVP

States and conformations

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