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	hartrees
Energy at 0K	-360.185431
Energy at 298.15K	-360.193043
HF Energy	-360.185431
Nuclear repulsion energy	150.400124

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3124	2983	0.00
2	A'	3027	2890	0.00
3	A'	1521	1452	0.00
4	A'	1301	1243	0.00
5	A'	624	596	0.00
6	A'	533	509	0.00
7	A"	3093	2954	37.73
8	A"	1523	1454	8.09
9	A"	781	746	150.49
10	A"	183	175	5.17
11	A"	50	48	0.08
12	E'	3125	2984	23.48
12	E'	3125	2984	23.56
13	E'	3025	2889	6.10
13	E'	3025	2889	6.09
14	E'	1519	1450	1.71
14	E'	1519	1450	1.73
15	E'	1299	1240	64.28
15	E'	1299	1240	64.15
16	E'	808	772	187.84
16	E'	808	772	187.75
17	E'	672	641	7.13
17	E'	672	641	7.08
18	E'	169	161	2.37
18	E'	169	161	2.36
19	E"	3093	2954	0.00
19	E"	3093	2954	0.00
20	E"	1521	1452	0.00
20	E"	1521	1452	0.00
21	E"	612	585	0.00
21	E"	612	585	0.00
22	E"	25	24	0.00
22	E"	25	24	0.00

Atom	x (Å)	y (Å)	z (Å)
Al1	0.000	0.000	0.000
C2	0.000	1.971	0.000
C3	-1.707	-0.986	0.000
C4	1.707	-0.986	0.000
H5	-1.011	2.394	0.000
H6	-1.568	-2.072	0.000
H7	2.579	-0.322	0.000
H8	0.530	2.361	0.880
H9	0.530	2.361	-0.880
H10	-2.309	-0.721	0.880
H11	-2.309	-0.721	-0.880
H12	1.779	-1.639	0.880
H13	1.779	-1.639	-0.880

	Al1	C2	C3	C4	H5	H6	H7	H8	H9	H10	H11	H12	H13
Al1		1.9712	1.9712	1.9712	2.5986	2.5986	2.5986	2.5745	2.5745	2.5745	2.5745	2.5745	2.5745
C2	1.9712		3.4143	3.4143	1.0956	4.3369	3.4505	1.0989	1.0989	3.6547	3.6547	4.1204	4.1204
C3	1.9712	3.4143		3.4143	3.4505	1.0956	4.3369	4.1204	4.1204	1.0989	1.0989	3.6547	3.6547
C4	1.9712	3.4143	3.4143		4.3369	3.4505	1.0956	3.6547	3.6547	4.1204	4.1204	1.0989	1.0989
H5	2.5986	1.0956	3.4505	4.3369		4.5009	4.5009	1.7750	1.7750	3.4878	3.4878	4.9826	4.9826
H6	2.5986	4.3369	1.0956	3.4505	4.5009		4.5009	4.9826	4.9826	1.7750	1.7750	3.4878	3.4878
H7	2.5986	3.4505	4.3369	1.0956	4.5009	4.5009		3.4878	3.4878	4.9826	4.9826	1.7750	1.7750
H8	2.5745	1.0989	4.1204	3.6547	1.7750	4.9826	3.4878		1.7606	4.1904	4.5452	4.1904	4.5452
H9	2.5745	1.0989	4.1204	3.6547	1.7750	4.9826	3.4878	1.7606		4.5452	4.1904	4.5452	4.1904
H10	2.5745	3.6547	1.0989	4.1204	3.4878	1.7750	4.9826	4.1904	4.5452		1.7606	4.1904	4.5452
H11	2.5745	3.6547	1.0989	4.1204	3.4878	1.7750	4.9826	4.5452	4.1904	1.7606		4.5452	4.1904
H12	2.5745	4.1204	3.6547	1.0989	4.9826	3.4878	1.7750	4.1904	4.5452	4.1904	4.5452		1.7606
H13	2.5745	4.1204	3.6547	1.0989	4.9826	3.4878	1.7750	4.5452	4.1904	4.5452	4.1904	1.7606

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Al1	C2	H5	112.693	Al1	C2	H8	110.747
Al1	C2	H9	110.747	Al1	C3	H6	112.693
Al1	C3	H10	110.747	Al1	C3	H11	110.747
Al1	C4	H7	112.693	Al1	C4	H12	110.747
Al1	C4	H13	110.747	C2	Al1	C3	120.000
C2	Al1	C4	120.000	C3	Al1	C4	120.000
H5	C2	H8	107.968	H5	C2	H9	107.968
H6	C3	H10	107.968	H6	C3	H11	107.968
H7	C4	H12	107.968	H7	C4	H13	107.968
H8	C2	H9	106.463	H10	C3	H11	106.463
H12	C4	H13	106.463

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

using model chemistry: B1B95/3-21G*

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	0.953
2	C	-0.939
3	C	-0.939
4	C	-0.939
5	H	0.209
6	H	0.209
7	H	0.209
8	H	0.207
9	H	0.207
10	H	0.207
11	H	0.207
12	H	0.207
13	H	0.207

	x	y	z
x	8.127	-0.001	0.000
y	-0.001	8.126	0.000
z	0.000	0.000	6.376

<r²>	151.223
(<r²>)^1/2	12.297

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

using model chemistry: B1B95/3-21G*

States and conformations

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