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	hartrees
Energy at 0K	-360.229884
Energy at 298.15K	-360.237678
HF Energy	-360.229884
Nuclear repulsion energy	149.117692

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3105	2996	0.00
2	A'	3018	2912	0.00
3	A'	1529	1476	0.00
4	A'	1325	1279	0.00
5	A'	665	642	0.00
6	A'	517	499	0.00
7	A"	3075	2967	47.21
8	A"	1533	1480	9.13
9	A"	812	783	144.16
10	A"	188	182	7.11
11	A"	62	60	0.10
12	E'	3106	2997	27.12
12	E'	3106	2997	27.13
13	E'	3017	2911	9.95
13	E'	3017	2911	9.95
14	E'	1528	1474	2.20
14	E'	1528	1474	2.20
15	E'	1320	1274	51.53
15	E'	1320	1274	51.53
16	E'	830	801	170.36
16	E'	830	801	170.35
17	E'	665	642	13.26
17	E'	665	642	13.26
18	E'	168	162	3.62
18	E'	168	162	3.61
19	E"	3074	2966	0.00
19	E"	3074	2966	0.00
20	E"	1531	1477	0.00
20	E"	1531	1477	0.00
21	E"	650	627	0.00
21	E"	650	627	0.00
22	E"	42	41	0.00
22	E"	42	41	0.00

Atom	x (Å)	y (Å)	z (Å)
Al1	0.000	0.000	0.000
C2	0.000	1.993	0.000
C3	-1.726	-0.997	0.000
C4	1.726	-0.997	0.000
H5	-1.013	2.412	0.000
H6	-1.582	-2.084	0.000
H7	2.596	-0.328	0.000
H8	0.528	2.387	0.881
H9	0.528	2.387	-0.881
H10	-2.331	-0.736	0.881
H11	-2.331	-0.736	-0.881
H12	1.803	-1.651	0.881
H13	1.803	-1.651	-0.881

	Al1	C2	C3	C4	H5	H6	H7	H8	H9	H10	H11	H12	H13
Al1		1.9934	1.9933	1.9933	2.6163	2.6163	2.6163	2.5983	2.5983	2.5983	2.5983	2.5983	2.5983
C2	1.9934		3.4526	3.4526	1.0965	4.3732	3.4825	1.0998	1.0998	3.6959	3.6959	4.1600	4.1600
C3	1.9933	3.4526		3.4526	3.4825	1.0965	4.3732	4.1600	4.1600	1.0998	1.0998	3.6959	3.6959
C4	1.9933	3.4526	3.4526		4.3732	3.4825	1.0965	3.6959	3.6959	4.1600	4.1600	1.0998	1.0998
H5	2.6163	1.0965	3.4825	4.3732		4.5315	4.5315	1.7756	1.7756	3.5246	3.5246	5.0213	5.0213
H6	2.6163	4.3732	1.0965	3.4825	4.5315		4.5315	5.0213	5.0213	1.7756	1.7756	3.5246	3.5246
H7	2.6163	3.4825	4.3732	1.0965	4.5315	4.5315		3.5246	3.5246	5.0213	5.0213	1.7756	1.7756
H8	2.5983	1.0998	4.1600	3.6959	1.7756	5.0213	3.5246		1.7619	4.2339	4.5859	4.2339	4.5859
H9	2.5983	1.0998	4.1600	3.6959	1.7756	5.0213	3.5246	1.7619		4.5859	4.2339	4.5859	4.2339
H10	2.5983	3.6959	1.0998	4.1600	3.5246	1.7756	5.0213	4.2339	4.5859		1.7619	4.2339	4.5859
H11	2.5983	3.6959	1.0998	4.1600	3.5246	1.7756	5.0213	4.5859	4.2339	1.7619		4.5859	4.2339
H12	2.5983	4.1600	3.6959	1.0998	5.0213	3.5246	1.7756	4.2339	4.5859	4.2339	4.5859		1.7619
H13	2.5983	4.1600	3.6959	1.0998	5.0213	3.5246	1.7756	4.5859	4.2339	4.5859	4.2339	1.7619

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Al1	C2	H5	112.448	Al1	C2	H8	110.957
Al1	C2	H9	110.957	Al1	C3	H6	112.448
Al1	C3	H10	110.957	Al1	C3	H11	110.957
Al1	C4	H7	112.448	Al1	C4	H12	110.957
Al1	C4	H13	110.957	C2	Al1	C3	120.000
C2	Al1	C4	120.000	C3	Al1	C4	120.000
H5	C2	H8	107.887	H5	C2	H9	107.887
H6	C3	H10	107.887	H6	C3	H11	107.887
H7	C4	H12	107.887	H7	C4	H13	107.887
H8	C2	H9	106.452	H10	C3	H11	106.451
H12	C4	H13	106.451

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

using model chemistry: B3LYP/3-21G

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	1.113
2	C	-0.967
3	C	-0.967
4	C	-0.967
5	H	0.199
6	H	0.199
7	H	0.199
8	H	0.198
9	H	0.198
10	H	0.198
11	H	0.198
12	H	0.198
13	H	0.198

<r²>	154.277
(<r²>)^1/2	12.421

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

using model chemistry: B3LYP/3-21G

States and conformations

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