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	hartrees
Energy at 0K	-360.700801
Energy at 298.15K	-360.708643
HF Energy	-360.700801
Nuclear repulsion energy	149.559886

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3248	2932	0.00
2	A'	3157	2850	0.00
3	A'	1609	1453	0.00
4	A'	1421	1283	0.00
5	A'	703	635	0.00
6	A'	524	473	0.00
7	A"	3220	2907	82.92
8	A"	1611	1455	15.93
9	A"	854	771	145.48
10	A"	200	181	15.63
11	A"	41	37	0.04
12	E'	3248	2933	43.03
12	E'	3248	2933	43.03
13	E'	3154	2848	27.17
13	E'	3154	2848	27.17
14	E'	1608	1452	4.58
14	E'	1608	1452	4.58
15	E'	1415	1278	70.56
15	E'	1415	1278	70.56
16	E'	872	787	173.13
16	E'	872	787	173.13
17	E'	674	609	25.60
17	E'	674	609	25.60
18	E'	174	157	6.93
18	E'	174	157	6.93
19	E"	3219	2906	0.00
19	E"	3219	2906	0.00
20	E"	1612	1455	0.00
20	E"	1612	1455	0.00
21	E"	688	622	0.00
21	E"	688	622	0.00
22	E"	25	22	0.00
22	E"	25	22	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	-1.005	2.404	0.000
H6	-1.580	-2.072	0.000
H7	2.584	-0.332	0.000
H8	0.520	2.384	0.873
H9	0.520	2.384	-0.873
H10	-2.324	-0.741	0.873
H11	-2.324	-0.741	-0.873
H12	1.804	-1.642	0.873
H13	1.804	-1.642	-0.873

	Al1	C2	C3	C4	H5	H6	H7	H8	H9	H10	H11	H12	H13
Al1		1.9921	1.9921	1.9921	2.6057	2.6057	2.6057	2.5912	2.5912	2.5912	2.5912	2.5912	2.5912
C2	1.9921		3.4504	3.4504	1.0860	4.3605	3.4757	1.0891	1.0891	3.6926	3.6926	4.1504	4.1504
C3	1.9921	3.4504		3.4504	3.4757	1.0860	4.3605	4.1504	4.1504	1.0891	1.0891	3.6926	3.6926
C4	1.9921	3.4504	3.4504		4.3605	3.4757	1.0860	3.6926	3.6926	4.1504	4.1504	1.0891	1.0891
H5	2.6057	1.0860	3.4757	4.3605		4.5133	4.5133	1.7575	1.7575	3.5209	3.5209	5.0027	5.0027
H6	2.6057	4.3605	1.0860	3.4757	4.5133		4.5133	5.0027	5.0027	1.7575	1.7575	3.5209	3.5209
H7	2.6057	3.4757	4.3605	1.0860	4.5133	4.5133		3.5209	3.5209	5.0027	5.0027	1.7575	1.7575
H8	2.5912	1.0891	4.1504	3.6926	1.7575	5.0027	3.5209		1.7460	4.2256	4.5721	4.2256	4.5721
H9	2.5912	1.0891	4.1504	3.6926	1.7575	5.0027	3.5209	1.7460		4.5721	4.2256	4.5721	4.2256
H10	2.5912	3.6926	1.0891	4.1504	3.5209	1.7575	5.0027	4.2256	4.5721		1.7460	4.2256	4.5721
H11	2.5912	3.6926	1.0891	4.1504	3.5209	1.7575	5.0027	4.5721	4.2256	1.7460		4.5721	4.2256
H12	2.5912	4.1504	3.6926	1.0891	5.0027	3.5209	1.7575	4.2256	4.5721	4.2256	4.5721		1.7460
H13	2.5912	4.1504	3.6926	1.0891	5.0027	3.5209	1.7575	4.5721	4.2256	4.5721	4.2256	1.7460

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Al1	C2	H5	112.303	Al1	C2	H8	111.064
Al1	C2	H9	111.064	Al1	C3	H6	112.303
Al1	C3	H10	111.064	Al1	C3	H11	111.064
Al1	C4	H7	112.303	Al1	C4	H12	111.064
Al1	C4	H13	111.064	C2	Al1	C3	120.000
C2	Al1	C4	120.000	C3	Al1	C4	120.000
H5	C2	H8	107.798	H5	C2	H9	107.798
H6	C3	H10	107.798	H6	C3	H11	107.798
H7	C4	H12	107.798	H7	C4	H13	107.798
H8	C2	H9	106.562	H10	C3	H11	106.562
H12	C4	H13	106.562

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

using model chemistry: HF/6-31G

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	1.297
2	C	-0.935
3	C	-0.935
4	C	-0.935
5	H	0.168
6	H	0.168
7	H	0.168
8	H	0.167
9	H	0.167
10	H	0.167
11	H	0.167
12	H	0.167
13	H	0.167

<r²>	154.587
(<r²>)^1/2	12.433

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

using model chemistry: HF/6-31G

States and conformations

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