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	hartrees
Energy at 0K	-362.142674
Energy at 298.15K
HF Energy	-362.142674
Nuclear repulsion energy	150.620807

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3136	2987	0.00
2	A'	3039	2895	0.00
3	A'	1458	1389	0.00
4	A'	1252	1193	0.00
5	A'	593	565	0.00
6	A'	517	493	0.00
7	A"	3112	2964	50.14
8	A"	1469	1400	13.43
9	A"	731	697	99.03
10	A"	181	172	8.29
11	A"	98i	93i	0.01
12	E'	3137	2988	29.39
12	E'	3137	2988	29.41
13	E'	3037	2894	19.69
13	E'	3037	2894	19.63
14	E'	1455	1386	2.76
14	E'	1455	1386	2.75
15	E'	1249	1190	63.48
15	E'	1249	1190	63.49
16	E'	767	731	161.79
16	E'	767	731	161.65
17	E'	644	613	13.21
17	E'	644	613	13.19
18	E'	161	154	4.70
18	E'	161	154	4.68
19	E"	3112	2964	0.00
19	E"	3112	2964	0.00
20	E"	1469	1399	0.00
20	E"	1469	1399	0.00
21	E"	565	538	0.00
21	E"	565	538	0.00
22	E"	99i	95i	0.00
22	E"	99i	95i	0.00

Atom	x (Å)	y (Å)	z (Å)
Al1	0.000	0.000	0.000
C2	0.000	1.967	0.000
C3	-1.704	-0.984	0.000
C4	1.704	-0.984	0.000
H5	-1.008	2.397	0.000
H6	-1.572	-2.071	0.000
H7	2.580	-0.325	0.000
H8	0.529	2.362	0.877
H9	0.529	2.362	-0.877
H10	-2.310	-0.723	0.877
H11	-2.310	-0.723	-0.877
H12	1.781	-1.640	0.877
H13	1.781	-1.640	-0.877

	Al1	C2	C3	C4	H5	H6	H7	H8	H9	H10	H11	H12	H13
Al1		1.9674	1.9674	1.9674	2.6000	2.6000	2.6000	2.5748	2.5748	2.5748	2.5748	2.5748	2.5748
C2	1.9674		3.4077	3.4077	1.0956	4.3337	3.4512	1.0981	1.0981	3.6529	3.6529	4.1173	4.1173
C3	1.9674	3.4077		3.4077	3.4512	1.0956	4.3337	4.1173	4.1173	1.0981	1.0981	3.6529	3.6529
C4	1.9674	3.4077	3.4077		4.3337	3.4512	1.0956	3.6529	3.6529	4.1173	4.1173	1.0981	1.0981
H5	2.6000	1.0956	3.4512	4.3337		4.5034	4.5034	1.7705	1.7705	3.4922	3.4922	4.9839	4.9839
H6	2.6000	4.3337	1.0956	3.4512	4.5034		4.5034	4.9839	4.9839	1.7705	1.7705	3.4922	3.4922
H7	2.6000	3.4512	4.3337	1.0956	4.5034	4.5034		3.4922	3.4922	4.9839	4.9839	1.7705	1.7705
H8	2.5748	1.0981	4.1173	3.6529	1.7705	4.9839	3.4922		1.7545	4.1929	4.5452	4.1929	4.5452
H9	2.5748	1.0981	4.1173	3.6529	1.7705	4.9839	3.4922	1.7545		4.5452	4.1929	4.5452	4.1929
H10	2.5748	3.6529	1.0981	4.1173	3.4922	1.7705	4.9839	4.1929	4.5452		1.7545	4.1929	4.5452
H11	2.5748	3.6529	1.0981	4.1173	3.4922	1.7705	4.9839	4.5452	4.1929	1.7545		4.5452	4.1929
H12	2.5748	4.1173	3.6529	1.0981	4.9839	3.4922	1.7705	4.1929	4.5452	4.1929	4.5452		1.7545
H13	2.5748	4.1173	3.6529	1.0981	4.9839	3.4922	1.7705	4.5452	4.1929	4.5452	4.1929	1.7545

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Al1	C2	H5	113.066	Al1	C2	H8	111.068
Al1	C2	H9	111.068	Al1	C3	H6	113.066
Al1	C3	H10	111.068	Al1	C3	H11	111.068
Al1	C4	H7	113.066	Al1	C4	H12	111.068
Al1	C4	H13	111.068	C2	Al1	C3	120.000
C2	Al1	C4	120.000	C3	Al1	C4	120.000
H5	C2	H8	107.625	H5	C2	H9	107.625
H6	C3	H10	107.625	H6	C3	H11	107.625
H7	C4	H12	107.625	H7	C4	H13	107.625
H8	C2	H9	106.056	H10	C3	H11	106.056
H12	C4	H13	106.056

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

using model chemistry: wB97X-D/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	0.941
2	C	-0.806
3	C	-0.806
4	C	-0.806
5	H	0.167
6	H	0.167
7	H	0.167
8	H	0.163
9	H	0.163
10	H	0.163
11	H	0.163
12	H	0.163
13	H	0.163

	x	y	z
x	9.832	0.001	0.000
y	0.001	9.831	0.000
z	0.000	0.000	7.237

<r²>	151.737
(<r²>)^1/2	12.318

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

using model chemistry: wB97X-D/cc-pVDZ

States and conformations

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