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	hartrees
Energy at 0K	-362.110064
Energy at 298.15K	-362.117442
HF Energy	-362.110064
Nuclear repulsion energy	149.854225

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3127	3018	0.00
2	A'	3022	2917	0.00
3	A'	1420	1370	0.00
4	A'	1208	1166	0.00
5	A'	595	574	0.00
6	A'	506	489	0.00
7	A"	3097	2988	30.49
8	A"	1425	1375	3.64
9	A"	713	688	104.43
10	A"	184	178	5.15
11	A"	52	50	0.06
12	E'	3127	3018	20.22
12	E'	3127	3018	20.22
13	E'	3021	2915	11.10
13	E'	3021	2915	11.11
14	E'	1417	1368	0.30
14	E'	1417	1368	0.30
15	E'	1205	1162	28.19
15	E'	1205	1162	28.19
16	E'	753	727	161.77
16	E'	753	727	161.77
17	E'	636	613	14.57
17	E'	636	613	14.58
18	E'	168	162	3.49
18	E'	168	162	3.49
19	E"	3096	2988	0.00
19	E"	3096	2988	0.00
20	E"	1422	1373	0.00
20	E"	1422	1373	0.00
21	E"	553	534	0.00
21	E"	553	534	0.00
22	E"	24	23	0.00
22	E"	24	23	0.00

Atom	x (Å)	y (Å)	z (Å)
Al1	0.000	0.000	0.000
C2	0.000	1.975	0.000
C3	-1.711	-0.988	0.000
C4	1.711	-0.988	0.000
H5	-1.008	2.421	0.000
H6	-1.593	-2.084	0.000
H7	2.601	-0.338	0.000
H8	0.540	2.368	0.882
H9	0.540	2.368	-0.882
H10	-2.321	-0.717	0.882
H11	-2.321	-0.717	-0.882
H12	1.781	-1.651	0.882
H13	1.781	-1.651	-0.882

	Al1	C2	C3	C4	H5	H6	H7	H8	H9	H10	H11	H12	H13
Al1		1.9754	1.9754	1.9754	2.6226	2.6226	2.6226	2.5837	2.5837	2.5837	2.5837	2.5837	2.5837
C2	1.9754		3.4215	3.4215	1.1022	4.3603	3.4805	1.1057	1.1057	3.6619	3.6619	4.1355	4.1355
C3	1.9754	3.4215		3.4215	3.4805	1.1022	4.3603	4.1355	4.1355	1.1057	1.1057	3.6619	3.6619
C4	1.9754	3.4215	3.4215		4.3603	3.4805	1.1022	3.6619	3.6619	4.1355	4.1355	1.1057	1.1057
H5	2.6226	1.1022	3.4805	4.3603		4.5424	4.5424	1.7819	1.7819	3.5136	3.5136	5.0140	5.0140
H6	2.6226	4.3603	1.1022	3.4805	4.5424		4.5424	5.0140	5.0140	1.7819	1.7819	3.5136	3.5136
H7	2.6226	3.4805	4.3603	1.1022	4.5424	4.5424		3.5136	3.5136	5.0140	5.0140	1.7819	1.7819
H8	2.5837	1.1057	4.1355	3.6619	1.7819	5.0140	3.5136		1.7631	4.2066	4.5612	4.2066	4.5612
H9	2.5837	1.1057	4.1355	3.6619	1.7819	5.0140	3.5136	1.7631		4.5612	4.2066	4.5612	4.2066
H10	2.5837	3.6619	1.1057	4.1355	3.5136	1.7819	5.0140	4.2066	4.5612		1.7631	4.2066	4.5612
H11	2.5837	3.6619	1.1057	4.1355	3.5136	1.7819	5.0140	4.5612	4.2066	1.7631		4.5612	4.2066
H12	2.5837	4.1355	3.6619	1.1057	5.0140	3.5136	1.7819	4.2066	4.5612	4.2066	4.5612		1.7631
H13	2.5837	4.1355	3.6619	1.1057	5.0140	3.5136	1.7819	4.5612	4.2066	4.5612	4.2066	1.7631

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Al1	C2	H5	113.851	Al1	C2	H8	110.798
Al1	C2	H9	110.798	Al1	C3	H6	113.851
Al1	C3	H10	110.798	Al1	C3	H11	110.798
Al1	C4	H7	113.851	Al1	C4	H12	110.798
Al1	C4	H13	110.798	C2	Al1	C3	120.000
C2	Al1	C4	120.000	C3	Al1	C4	120.000
H5	C2	H8	107.626	H5	C2	H9	107.626
H6	C3	H10	107.626	H6	C3	H11	107.626
H7	C4	H12	107.626	H7	C4	H13	107.626
H8	C2	H9	105.750	H10	C3	H11	105.750
H12	C4	H13	105.750

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

using model chemistry: B3PW91/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	0.469
2	C	-0.315
3	C	-0.315
4	C	-0.315
5	H	0.051
6	H	0.051
7	H	0.051
8	H	0.054
9	H	0.054
10	H	0.054
11	H	0.054
12	H	0.054
13	H	0.054

<r²>	152.524
(<r²>)^1/2	12.350

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

using model chemistry: B3PW91/cc-pVDZ

States and conformations

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