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	hartrees
Energy at 0K	-360.831099
Energy at 298.15K	-360.838758
HF Energy	-360.831099
Nuclear repulsion energy	150.620777

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3197	2892	0.00
2	A'	3121	2823	0.00
3	A'	1562	1413	0.00
4	A'	1340	1212	0.00
5	A'	633	573	0.00
6	A'	534	483	0.00
7	A"	3169	2867	85.73
8	A"	1567	1417	2.61
9	A"	761	688	97.47
10	A"	196	177	12.67
11	A"	50	45	0.14
12	E'	3198	2893	47.64
12	E'	3198	2893	47.64
13	E'	3119	2821	22.77
13	E'	3119	2821	22.77
14	E'	1561	1412	0.30
14	E'	1561	1412	0.30
15	E'	1338	1211	39.00
15	E'	1338	1211	39.00
16	E'	801	724	154.82
16	E'	801	724	154.82
17	E'	667	604	23.22
17	E'	667	604	23.22
18	E'	178	161	6.50
18	E'	178	161	6.50
19	E"	3168	2866	0.00
19	E"	3168	2866	0.00
20	E"	1566	1416	0.00
20	E"	1566	1416	0.00
21	E"	595	539	0.00
21	E"	595	539	0.00
22	E"	27	25	0.00
22	E"	27	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	-0.986	0.000
C4	1.709	-0.986	0.000
H5	-0.997	2.403	0.000
H6	-1.582	-2.064	0.000
H7	2.579	-0.338	0.000
H8	0.526	2.361	0.870
H9	0.526	2.361	-0.870
H10	-2.308	-0.725	0.870
H11	-2.308	-0.725	-0.870
H12	1.782	-1.636	0.870
H13	1.782	-1.636	-0.870

	Al1	C2	C3	C4	H5	H6	H7	H8	H9	H10	H11	H12	H13
Al1		1.9729	1.9729	1.9729	2.6011	2.6011	2.6011	2.5707	2.5707	2.5707	2.5707	2.5707	2.5707
C2	1.9729		3.4172	3.4172	1.0852	4.3363	3.4630	1.0884	1.0884	3.6553	3.6553	4.1178	4.1178
C3	1.9729	3.4172		3.4172	3.4630	1.0852	4.3363	4.1178	4.1178	1.0884	1.0884	3.6553	3.6553
C4	1.9729	3.4172	3.4172		4.3363	3.4630	1.0852	3.6553	3.6553	4.1178	4.1178	1.0884	1.0884
H5	2.6011	1.0852	3.4630	4.3363		4.5052	4.5052	1.7542	1.7542	3.5011	3.5011	4.9786	4.9786
H6	2.6011	4.3363	1.0852	3.4630	4.5052		4.5052	4.9786	4.9786	1.7542	1.7542	3.5011	3.5011
H7	2.6011	3.4630	4.3363	1.0852	4.5052	4.5052		3.5011	3.5011	4.9786	4.9786	1.7542	1.7542
H8	2.5707	1.0884	4.1178	3.6553	1.7542	4.9786	3.5011		1.7404	4.1897	4.5368	4.1897	4.5368
H9	2.5707	1.0884	4.1178	3.6553	1.7542	4.9786	3.5011	1.7404		4.5368	4.1897	4.5368	4.1897
H10	2.5707	3.6553	1.0884	4.1178	3.5011	1.7542	4.9786	4.1897	4.5368		1.7404	4.1897	4.5368
H11	2.5707	3.6553	1.0884	4.1178	3.5011	1.7542	4.9786	4.5368	4.1897	1.7404		4.5368	4.1897
H12	2.5707	4.1178	3.6553	1.0884	4.9786	3.5011	1.7542	4.1897	4.5368	4.1897	4.5368		1.7404
H13	2.5707	4.1178	3.6553	1.0884	4.9786	3.5011	1.7542	4.5368	4.1897	4.5368	4.1897	1.7404

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Al1	C2	H5	113.322	Al1	C2	H8	110.890
Al1	C2	H9	110.890	Al1	C3	H6	113.322
Al1	C3	H10	110.890	Al1	C3	H11	110.890
Al1	C4	H7	113.322	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	107.616	H5	C2	H9	107.616
H6	C3	H10	107.616	H6	C3	H11	107.616
H7	C4	H12	107.616	H7	C4	H13	107.616
H8	C2	H9	106.174	H10	C3	H11	106.174
H12	C4	H13	106.174

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

using model chemistry: HF/daug-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	-0.100
2	C	-1.138
3	C	-1.138
4	C	-1.138
5	H	0.493
6	H	0.493
7	H	0.493
8	H	0.340
9	H	0.340
10	H	0.340
11	H	0.340
12	H	0.340
13	H	0.340

<r²>	152.435
(<r²>)^1/2	12.346

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

using model chemistry: HF/daug-cc-pVTZ

States and conformations

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