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	hartrees
Energy at 0K	-362.096436
Energy at 298.15K	-362.103802
HF Energy	-362.096436
Nuclear repulsion energy	150.582588

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3143	2983	0.00
2	A'	3046	2892	0.00
3	A'	1483	1408	0.00
4	A'	1270	1206	0.00
5	A'	596	566	0.00
6	A'	519	493	0.00
7	A"	3115	2957	42.65
8	A"	1486	1410	5.68
9	A"	740	703	120.94
10	A"	181	172	5.42
11	A"	42	40	0.06
12	E'	3143	2984	26.02
12	E'	3143	2984	26.08
13	E'	3045	2890	8.07
13	E'	3045	2890	8.05
14	E'	1481	1406	1.01
14	E'	1481	1406	1.01
15	E'	1266	1202	41.33
15	E'	1266	1202	41.22
16	E'	777	737	172.12
16	E'	777	737	172.04
17	E'	649	616	8.84
17	E'	649	616	8.82
18	E'	166	158	2.88
18	E'	166	158	2.87
19	E"	3115	2957	0.00
19	E"	3115	2957	0.00
20	E"	1483	1408	0.00
20	E"	1483	1408	0.00
21	E"	571	542	0.00
21	E"	571	542	0.00
22	E"	14	13	0.00
22	E"	14	13	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	-1.004	2.403	0.000
H6	-1.579	-2.071	0.000
H7	2.583	-0.332	0.000
H8	0.530	2.364	0.875
H9	0.530	2.364	-0.875
H10	-2.312	-0.723	0.875
H11	-2.312	-0.723	-0.875
H12	1.782	-1.641	0.875
H13	1.782	-1.641	-0.875

	Al1	C2	C3	C4	H5	H6	H7	H8	H9	H10	H11	H12	H13
Al1		1.9672	1.9672	1.9672	2.6039	2.6039	2.6039	2.5757	2.5757	2.5757	2.5757	2.5757	2.5757
C2	1.9672		3.4073	3.4073	1.0944	4.3356	3.4576	1.0973	1.0973	3.6538	3.6538	4.1181	4.1181
C3	1.9672	3.4073		3.4073	3.4576	1.0944	4.3356	4.1181	4.1181	1.0973	1.0973	3.6538	3.6538
C4	1.9672	3.4073	3.4073		4.3356	3.4576	1.0944	3.6538	3.6538	4.1181	4.1181	1.0973	1.0973
H5	2.6039	1.0944	3.4576	4.3356		4.5101	4.5101	1.7663	1.7663	3.4996	3.4996	4.9877	4.9877
H6	2.6039	4.3356	1.0944	3.4576	4.5101		4.5101	4.9877	4.9877	1.7663	1.7663	3.4996	3.4996
H7	2.6039	3.4576	4.3356	1.0944	4.5101	4.5101		3.4996	3.4996	4.9877	4.9877	1.7663	1.7663
H8	2.5757	1.0973	4.1181	3.6538	1.7663	4.9877	3.4996		1.7507	4.1957	4.5463	4.1957	4.5463
H9	2.5757	1.0973	4.1181	3.6538	1.7663	4.9877	3.4996	1.7507		4.5463	4.1957	4.5463	4.1957
H10	2.5757	3.6538	1.0973	4.1181	3.4996	1.7663	4.9877	4.1957	4.5463		1.7507	4.1957	4.5463
H11	2.5757	3.6538	1.0973	4.1181	3.4996	1.7663	4.9877	4.5463	4.1957	1.7507		4.5463	4.1957
H12	2.5757	4.1181	3.6538	1.0973	4.9877	3.4996	1.7663	4.1957	4.5463	4.1957	4.5463		1.7507
H13	2.5757	4.1181	3.6538	1.0973	4.9877	3.4996	1.7663	4.5463	4.1957	4.5463	4.1957	1.7507

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Al1	C2	H5	113.439	Al1	C2	H8	111.191
Al1	C2	H9	111.191	Al1	C3	H6	113.439
Al1	C3	H10	111.191	Al1	C3	H11	111.191
Al1	C4	H7	113.439	Al1	C4	H12	111.191
Al1	C4	H13	111.191	C2	Al1	C3	120.000
C2	Al1	C4	120.000	C3	Al1	C4	120.000
H5	C2	H8	107.397	H5	C2	H9	107.397
H6	C3	H10	107.397	H6	C3	H11	107.397
H7	C4	H12	107.397	H7	C4	H13	107.397
H8	C2	H9	105.835	H10	C3	H11	105.835
H12	C4	H13	105.835

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

using model chemistry: B1B95/6-31G*

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	0.753
2	C	-0.772
3	C	-0.772
4	C	-0.772
5	H	0.175
6	H	0.175
7	H	0.175
8	H	0.173
9	H	0.173
10	H	0.173
11	H	0.173
12	H	0.173
13	H	0.173

	x	y	z
x	8.638	-0.001	0.000
y	-0.001	8.635	0.000
z	0.000	0.000	6.655

<r²>	151.145
(<r²>)^1/2	12.294

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

using model chemistry: B1B95/6-31G*

States and conformations

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