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	hartrees
Energy at 0K	-362.265832
Energy at 298.15K	-362.273253
HF Energy	-362.265832
Nuclear repulsion energy	150.299287

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3081	2984	0.00
2	A'	2998	2903	0.00
3	A'	1463	1417	0.00
4	A'	1246	1206	0.00
5	A'	594	575	0.00
6	A'	513	497	0.00
7	A"	3052	2956	53.83
8	A"	1467	1420	1.73
9	A"	717	694	87.87
10	A"	180	175	7.30
11	A"	49	48	0.01
12	E'	3082	2984	34.53
12	E'	3082	2984	34.50
13	E'	2997	2902	15.60
13	E'	2997	2902	15.62
14	E'	1461	1415	0.26
14	E'	1461	1415	0.25
15	E'	1243	1203	24.83
15	E'	1243	1203	24.87
16	E'	758	734	155.46
16	E'	758	734	155.45
17	E'	641	621	16.73
17	E'	641	621	16.74
18	E'	167	161	4.41
18	E'	167	161	4.41
19	E"	3052	2955	0.00
19	E"	3052	2955	0.00
20	E"	1464	1418	0.00
20	E"	1464	1418	0.00
21	E"	557	539	0.00
21	E"	557	539	0.00
22	E"	26	25	0.00
22	E"	26	25	0.00

Atom	x (Å)	y (Å)	z (Å)
Al1	0.000	0.000	0.000
C2	0.000	1.973	0.000
C3	-1.709	-0.987	0.000
C4	1.709	-0.987	0.000
H5	-1.004	2.406	0.000
H6	-1.582	-2.073	0.000
H7	2.586	-0.333	0.000
H8	0.529	2.369	0.875
H9	0.529	2.369	-0.875
H10	-2.316	-0.727	0.875
H11	-2.316	-0.727	-0.875
H12	1.788	-1.642	0.875
H13	1.788	-1.642	-0.875

	Al1	C2	C3	C4	H5	H6	H7	H8	H9	H10	H11	H12	H13
Al1		1.9734	1.9734	1.9734	2.6074	2.6074	2.6074	2.5805	2.5805	2.5805	2.5805	2.5805	2.5805
C2	1.9734		3.4180	3.4180	1.0936	4.3444	3.4653	1.0964	1.0964	3.6636	3.6636	4.1273	4.1273
C3	1.9734	3.4180		3.4180	3.4653	1.0936	4.3444	4.1274	4.1274	1.0964	1.0964	3.6636	3.6636
C4	1.9734	3.4180	3.4180		4.3444	3.4653	1.0936	3.6636	3.6636	4.1274	4.1274	1.0964	1.0964
H5	2.6074	1.0936	3.4653	4.3444		4.5161	4.5161	1.7655	1.7655	3.5076	3.5076	4.9951	4.9951
H6	2.6074	4.3444	1.0936	3.4653	4.5161		4.5161	4.9951	4.9951	1.7655	1.7655	3.5076	3.5076
H7	2.6074	3.4653	4.3444	1.0936	4.5161	4.5161		3.5076	3.5076	4.9951	4.9951	1.7655	1.7655
H8	2.5805	1.0964	4.1274	3.6636	1.7655	4.9951	3.5076		1.7505	4.2045	4.5544	4.2045	4.5544
H9	2.5805	1.0964	4.1274	3.6636	1.7655	4.9951	3.5076	1.7505		4.5544	4.2045	4.5544	4.2045
H10	2.5805	3.6636	1.0964	4.1274	3.5076	1.7655	4.9951	4.2045	4.5544		1.7505	4.2045	4.5544
H11	2.5805	3.6636	1.0964	4.1274	3.5076	1.7655	4.9951	4.5544	4.2045	1.7505		4.5544	4.2045
H12	2.5805	4.1273	3.6636	1.0964	4.9951	3.5076	1.7655	4.2045	4.5544	4.2045	4.5544		1.7505
H13	2.5805	4.1273	3.6636	1.0964	4.9951	3.5076	1.7655	4.5544	4.2045	4.5544	4.2045	1.7505

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Al1	C2	H5	113.314	Al1	C2	H8	111.166
Al1	C2	H9	111.166	Al1	C3	H6	113.314
Al1	C3	H10	111.166	Al1	C3	H11	111.166
Al1	C4	H7	113.314	Al1	C4	H12	111.166
Al1	C4	H13	111.166	C2	Al1	C3	120.000
C2	Al1	C4	120.000	C3	Al1	C4	120.000
H5	C2	H8	107.446	H5	C2	H9	107.446
H6	C3	H10	107.446	H6	C3	H11	107.446
H7	C4	H12	107.446	H7	C4	H13	107.446
H8	C2	H9	105.931	H10	C3	H11	105.932
H12	C4	H13	105.932

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

using model chemistry: TPSSh/cc-pVTZ

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	0.451
2	C	-0.369
3	C	-0.369
4	C	-0.369
5	H	0.077
6	H	0.077
7	H	0.077
8	H	0.071
9	H	0.071
10	H	0.071
11	H	0.071
12	H	0.071
13	H	0.071

	x	y	z
x	10.197	-0.000	0.000
y	-0.000	10.193	0.000
z	0.000	0.000	7.890

<r²>	152.404
(<r²>)^1/2	12.345

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

using model chemistry: TPSSh/cc-pVTZ

States and conformations

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