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	hartrees
Energy at 0K	-360.830917
Energy at 298.15K	-360.838622
HF Energy	-360.830917
Nuclear repulsion energy	150.624532

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3197	2911	0.00
2	A'	3121	2842	0.00
3	A'	1562	1422	0.00
4	A'	1341	1221	0.00
5	A'	634	577	0.00
6	A'	534	486	0.00
7	A"	3169	2885	85.81
8	A"	1567	1427	2.59
9	A"	762	694	97.53
10	A"	196	179	12.67
11	A"	53	48	0.14
12	E'	3198	2912	47.76
12	E'	3198	2912	47.76
13	E'	3119	2840	22.73
13	E'	3119	2840	22.73
14	E'	1561	1421	0.30
14	E'	1561	1421	0.30
15	E'	1338	1218	38.90
15	E'	1338	1218	38.90
16	E'	801	729	154.81
16	E'	801	729	154.81
17	E'	668	608	23.31
17	E'	668	608	23.31
18	E'	178	162	6.52
18	E'	178	162	6.52
19	E"	3169	2885	0.00
19	E"	3169	2885	0.00
20	E"	1566	1426	0.00
20	E"	1566	1426	0.00
21	E"	596	543	0.00
21	E"	596	543	0.00
22	E"	30	27	0.00
22	E"	30	27	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	2.402	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	2.6010	2.6010	2.6010	2.5706	2.5706	2.5706	2.5706	2.5706	2.5706
C2	1.9729		3.4171	3.4171	1.0852	4.3362	3.4629	1.0884	1.0884	3.6552	3.6552	4.1177	4.1177
C3	1.9729	3.4171		3.4171	3.4629	1.0852	4.3362	4.1177	4.1177	1.0884	1.0884	3.6552	3.6552
C4	1.9729	3.4171	3.4171		4.3362	3.4629	1.0852	3.6552	3.6552	4.1177	4.1177	1.0884	1.0884
H5	2.6010	1.0852	3.4629	4.3362		4.5050	4.5050	1.7542	1.7542	3.5009	3.5009	4.9785	4.9785
H6	2.6010	4.3362	1.0852	3.4629	4.5050		4.5050	4.9785	4.9785	1.7542	1.7542	3.5009	3.5009
H7	2.6010	3.4629	4.3362	1.0852	4.5050	4.5050		3.5009	3.5009	4.9785	4.9785	1.7542	1.7542
H8	2.5706	1.0884	4.1177	3.6552	1.7542	4.9785	3.5009		1.7404	4.1895	4.5367	4.1895	4.5367
H9	2.5706	1.0884	4.1177	3.6552	1.7542	4.9785	3.5009	1.7404		4.5367	4.1895	4.5367	4.1895
H10	2.5706	3.6552	1.0884	4.1177	3.5009	1.7542	4.9785	4.1895	4.5367		1.7404	4.1895	4.5367
H11	2.5706	3.6552	1.0884	4.1177	3.5009	1.7542	4.9785	4.5367	4.1895	1.7404		4.5367	4.1895
H12	2.5706	4.1177	3.6552	1.0884	4.9785	3.5009	1.7542	4.1895	4.5367	4.1895	4.5367		1.7404
H13	2.5706	4.1177	3.6552	1.0884	4.9785	3.5009	1.7542	4.5367	4.1895	4.5367	4.1895	1.7404

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Al1	C2	H5	113.317	Al1	C2	H8	110.889
Al1	C2	H9	110.889	Al1	C3	H6	113.317
Al1	C3	H10	110.889	Al1	C3	H11	110.889
Al1	C4	H7	113.317	Al1	C4	H12	110.889
Al1	C4	H13	110.889	C2	Al1	C3	120.000
C2	Al1	C4	120.000	C3	Al1	C4	120.000
H5	C2	H8	107.620	H5	C2	H9	107.620
H6	C3	H10	107.620	H6	C3	H11	107.620
H7	C4	H12	107.620	H7	C4	H13	107.620
H8	C2	H9	106.173	H10	C3	H11	106.173
H12	C4	H13	106.173

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

using model chemistry: HF/aug-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	0.243
2	C	-0.754
3	C	-0.754
4	C	-0.754
5	H	0.301
6	H	0.301
7	H	0.301
8	H	0.186
9	H	0.186
10	H	0.186
11	H	0.186
12	H	0.186
13	H	0.186

<r²>	152.428
(<r²>)^1/2	12.346

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

using model chemistry: HF/aug-cc-pVTZ

States and conformations

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