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	hartrees
Energy at 0K	-361.851083
Energy at 298.15K	-361.858331
HF Energy	-361.851083
Nuclear repulsion energy	149.119548

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3060	3042	0.00
2	A'	2955	2938	0.00
3	A'	1375	1367	0.00
4	A'	1164	1157	0.00
5	A'	575	572	0.00
6	A'	494	491	0.00
7	A"	3028	3010	27.02
8	A"	1379	1371	2.68
9	A"	693	689	95.92
10	A"	176	175	3.55
11	A"	53	53	0.10
12	E'	3060	3042	19.42
12	E'	3060	3042	19.42
13	E'	2954	2936	9.93
13	E'	2954	2936	9.94
14	E'	1372	1364	0.29
14	E'	1372	1364	0.29
15	E'	1160	1153	21.20
15	E'	1160	1153	21.20
16	E'	733	729	157.00
16	E'	733	729	156.99
17	E'	620	617	12.24
17	E'	620	617	12.24
18	E'	161	160	2.84
18	E'	161	160	2.84
19	E"	3028	3010	0.00
19	E"	3028	3010	0.00
20	E"	1376	1368	0.00
20	E"	1376	1368	0.00
21	E"	534	530	0.00
21	E"	534	530	0.00
22	E"	28	28	0.00
22	E"	28	28	0.00

Atom	x (Å)	y (Å)	z (Å)
Al1	0.000	0.000	0.000
C2	0.000	1.984	0.000
C3	-1.718	-0.992	0.000
C4	1.718	-0.992	0.000
H5	-1.013	2.435	0.000
H6	-1.602	-2.095	0.000
H7	2.616	-0.340	0.000
H8	0.545	2.379	0.887
H9	0.545	2.379	-0.887
H10	-2.332	-0.718	0.887
H11	-2.332	-0.718	-0.887
H12	1.788	-1.661	0.887
H13	1.788	-1.661	-0.887

	Al1	C2	C3	C4	H5	H6	H7	H8	H9	H10	H11	H12	H13
Al1		1.9839	1.9839	1.9839	2.6375	2.6375	2.6375	2.5964	2.5964	2.5964	2.5964	2.5964	2.5964
C2	1.9839		3.4362	3.4362	1.1093	4.3825	3.4987	1.1130	1.1130	3.6776	3.6776	4.1555	4.1555
C3	1.9839	3.4362		3.4362	3.4987	1.1093	4.3825	4.1555	4.1555	1.1130	1.1130	3.6776	3.6776
C4	1.9839	3.4362	3.4362		4.3825	3.4987	1.1093	3.6776	3.6776	4.1555	4.1555	1.1130	1.1130
H5	2.6375	1.1093	3.4987	4.3825		4.5684	4.5684	1.7936	1.7936	3.5306	3.5306	5.0409	5.0409
H6	2.6375	4.3825	1.1093	3.4987	4.5684		4.5684	5.0409	5.0409	1.7936	1.7936	3.5306	3.5306
H7	2.6375	3.4987	4.3825	1.1093	4.5684	4.5684		3.5306	3.5306	5.0409	5.0409	1.7936	1.7936
H8	2.5964	1.1130	4.1555	3.6776	1.7936	5.0409	3.5306		1.7732	4.2267	4.5836	4.2267	4.5836
H9	2.5964	1.1130	4.1555	3.6776	1.7936	5.0409	3.5306	1.7732		4.5836	4.2267	4.5836	4.2267
H10	2.5964	3.6776	1.1130	4.1555	3.5306	1.7936	5.0409	4.2267	4.5836		1.7732	4.2267	4.5836
H11	2.5964	3.6776	1.1130	4.1555	3.5306	1.7936	5.0409	4.5836	4.2267	1.7732		4.5836	4.2267
H12	2.5964	4.1555	3.6776	1.1130	5.0409	3.5306	1.7936	4.2267	4.5836	4.2267	4.5836		1.7732
H13	2.5964	4.1555	3.6776	1.1130	5.0409	3.5306	1.7936	4.5836	4.2267	4.5836	4.2267	1.7732

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Al1	C2	H5	113.997	Al1	C2	H8	110.777
Al1	C2	H9	110.777	Al1	C3	H6	113.997
Al1	C3	H10	110.777	Al1	C3	H11	110.777
Al1	C4	H7	113.997	Al1	C4	H12	110.777
Al1	C4	H13	110.777	C2	Al1	C3	120.000
C2	Al1	C4	120.000	C3	Al1	C4	120.000
H5	C2	H8	107.630	H5	C2	H9	107.630
H6	C3	H10	107.630	H6	C3	H11	107.630
H7	C4	H12	107.630	H7	C4	H13	107.630
H8	C2	H9	105.617	H10	C3	H11	105.617
H12	C4	H13	105.617

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

using model chemistry: PBEPBE/cc-pVDZ

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	0.356
2	C	-0.255
3	C	-0.255
4	C	-0.255
5	H	0.043
6	H	0.043
7	H	0.043
8	H	0.047
9	H	0.047
10	H	0.047
11	H	0.047
12	H	0.047
13	H	0.047

<r²>	153.841
(<r²>)^1/2	12.403

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

using model chemistry: PBEPBE/cc-pVDZ

States and conformations

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