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	hartrees
Energy at 0K	-360.139539
Energy at 298.15K	-360.147343
HF Energy	-360.139539
Nuclear repulsion energy	149.159722

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3122	3001	0.00
2	A'	3026	2908	0.00
3	A'	1522	1463	0.00
4	A'	1317	1266	0.00
5	A'	664	638	0.00
6	A'	521	501	0.00
7	A"	3092	2972	39.04
8	A"	1525	1466	12.59
9	A"	812	781	154.93
10	A"	189	182	6.98
11	A"	63	61	0.13
12	E'	3122	3001	23.24
12	E'	3122	3001	23.23
13	E'	3024	2907	7.93
13	E'	3024	2907	7.93
14	E'	1520	1461	3.23
14	E'	1520	1461	3.23
15	E'	1312	1261	64.68
15	E'	1312	1261	64.67
16	E'	831	798	177.21
16	E'	831	798	177.21
17	E'	670	644	11.91
17	E'	670	644	11.90
18	E'	167	161	3.43
18	E'	167	161	3.43
19	E"	3092	2972	0.00
19	E"	3092	2972	0.00
20	E"	1523	1464	0.00
20	E"	1523	1464	0.00
21	E"	652	627	0.00
21	E"	652	627	0.00
22	E"	43	41	0.00
22	E"	43	41	0.00

Atom	x (Å)	y (Å)	z (Å)
Al1	0.000	0.000	0.000
C2	0.000	1.992	0.000
C3	-1.725	-0.996	0.000
C4	1.725	-0.996	0.000
H5	-1.015	2.410	0.000
H6	-1.580	-2.084	0.000
H7	2.594	-0.326	0.000
H8	0.528	2.386	0.882
H9	0.528	2.386	-0.882
H10	-2.330	-0.735	0.882
H11	-2.330	-0.735	-0.882
H12	1.802	-1.650	0.882
H13	1.802	-1.650	-0.882

	Al1	C2	C3	C4	H5	H6	H7	H8	H9	H10	H11	H12	H13
Al1		1.9922	1.9922	1.9922	2.6149	2.6149	2.6149	2.5976	2.5976	2.5976	2.5976	2.5976	2.5976
C2	1.9922		3.4505	3.4505	1.0974	4.3714	3.4794	1.1007	1.1007	3.6939	3.6939	4.1584	4.1584
C3	1.9922	3.4505		3.4505	3.4794	1.0974	4.3714	4.1584	4.1584	1.1007	1.1007	3.6939	3.6939
C4	1.9922	3.4505	3.4505		4.3714	3.4794	1.0974	3.6939	3.6939	4.1584	4.1584	1.1007	1.1007
H5	2.6149	1.0974	3.4794	4.3714		4.5291	4.5291	1.7775	1.7775	3.5213	3.5213	5.0196	5.0196
H6	2.6149	4.3714	1.0974	3.4794	4.5291		4.5291	5.0196	5.0196	1.7775	1.7775	3.5213	3.5213
H7	2.6149	3.4794	4.3714	1.0974	4.5291	4.5291		3.5213	3.5213	5.0196	5.0196	1.7775	1.7775
H8	2.5976	1.1007	4.1584	3.6939	1.7775	5.0196	3.5213		1.7635	4.2320	4.5847	4.2320	4.5847
H9	2.5976	1.1007	4.1584	3.6939	1.7775	5.0196	3.5213	1.7635		4.5847	4.2320	4.5847	4.2320
H10	2.5976	3.6939	1.1007	4.1584	3.5213	1.7775	5.0196	4.2320	4.5847		1.7635	4.2320	4.5847
H11	2.5976	3.6939	1.1007	4.1584	3.5213	1.7775	5.0196	4.5847	4.2320	1.7635		4.5847	4.2320
H12	2.5976	4.1584	3.6939	1.1007	5.0196	3.5213	1.7775	4.2320	4.5847	4.2320	4.5847		1.7635
H13	2.5976	4.1584	3.6939	1.1007	5.0196	3.5213	1.7775	4.5847	4.2320	4.5847	4.2320	1.7635

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Al1	C2	H5	112.380	Al1	C2	H8	110.939
Al1	C2	H9	110.939	Al1	C3	H6	112.380
Al1	C3	H10	110.939	Al1	C3	H11	110.939
Al1	C4	H7	112.380	Al1	C4	H12	110.939
Al1	C4	H13	110.939	C2	Al1	C3	120.000
C2	Al1	C4	120.000	C3	Al1	C4	120.000
H5	C2	H8	107.933	H5	C2	H9	107.933
H6	C3	H10	107.933	H6	C3	H11	107.933
H7	C4	H12	107.933	H7	C4	H13	107.933
H8	C2	H9	106.468	H10	C3	H11	106.468
H12	C4	H13	106.468

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

using model chemistry: B3PW91/3-21G

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	1.159
2	C	-1.044
3	C	-1.044
4	C	-1.044
5	H	0.220
6	H	0.220
7	H	0.220
8	H	0.219
9	H	0.219
10	H	0.219
11	H	0.219
12	H	0.219
13	H	0.219

<r²>	153.991
(<r²>)^1/2	12.409

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

using model chemistry: B3PW91/3-21G

States and conformations

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