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	hartrees
Energy at 0K	-360.147705
Energy at 298.15K	-360.155897
HF Energy	-360.147705
Nuclear repulsion energy	150.784490

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3141	2975	0.00
2	A'	3030	2870	0.00
3	A'	1529	1448	0.00
4	A'	1312	1243	0.00
5	A'	640	606	0.00
6	A'	534	506	0.00
7	A"	3088	2925	26.54
8	A"	1535	1454	10.82
9	A"	779	738	148.96
10	A"	195	185	5.80
11	A"	119	113	0.56
12	E'	3141	2975	15.87
12	E'	3141	2975	15.84
13	E'	3029	2869	2.95
13	E'	3029	2869	2.95
14	E'	1526	1445	2.10
14	E'	1526	1445	2.12
15	E'	1310	1241	72.25
15	E'	1310	1241	72.30
16	E'	817	774	183.85
16	E'	817	774	185.23
17	E'	672	636	12.30
17	E'	672	636	12.39
18	E'	173	164	3.01
18	E'	173	164	3.06
19	E"	3088	2925	0.00
19	E"	3088	2925	0.00
20	E"	1534	1453	0.00
20	E"	1534	1453	0.00
21	E"	607	575	0.00
21	E"	607	575	0.00
22	E"	139	132	0.00
22	E"	139	132	0.00

Atom	x (Å)	y (Å)	z (Å)
Al1	0.000	0.000	0.000
C2	0.000	1.964	0.000
C3	-1.701	-0.982	0.000
C4	1.701	-0.982	0.000
H5	-1.010	2.390	0.000
H6	-1.564	-2.070	0.000
H7	2.575	-0.320	0.000
H8	0.532	2.351	0.881
H9	0.532	2.351	-0.881
H10	-2.302	-0.715	0.881
H11	-2.302	-0.715	-0.881
H12	1.770	-1.637	0.881
H13	1.770	-1.637	-0.881

	Al1	C2	C3	C4	H5	H6	H7	H8	H9	H10	H11	H12	H13
Al1		1.9644	1.9644	1.9644	2.5944	2.5944	2.5944	2.5665	2.5665	2.5665	2.5665	2.5665	2.5665
C2	1.9644		3.4024	3.4024	1.0959	4.3267	3.4420	1.0994	1.0994	3.6404	3.6404	4.1080	4.1080
C3	1.9644	3.4024		3.4024	3.4420	1.0959	4.3267	4.1080	4.1080	1.0994	1.0994	3.6404	3.6404
C4	1.9644	3.4024	3.4024		4.3267	3.4420	1.0959	3.6404	3.6404	4.1080	4.1080	1.0994	1.0994
H5	2.5944	1.0959	3.4420	4.3267		4.4936	4.4936	1.7766	1.7766	3.4758	3.4758	4.9714	4.9714
H6	2.5944	4.3267	1.0959	3.4420	4.4936		4.4936	4.9714	4.9714	1.7766	1.7766	3.4758	3.4758
H7	2.5944	3.4420	4.3267	1.0959	4.4936	4.4936		3.4758	3.4758	4.9714	4.9714	1.7766	1.7766
H8	2.5665	1.0994	4.1080	3.6404	1.7766	4.9714	3.4758		1.7616	4.1753	4.5317	4.1753	4.5317
H9	2.5665	1.0994	4.1080	3.6404	1.7766	4.9714	3.4758	1.7616		4.5317	4.1753	4.5317	4.1753
H10	2.5665	3.6404	1.0994	4.1080	3.4758	1.7766	4.9714	4.1753	4.5317		1.7616	4.1753	4.5317
H11	2.5665	3.6404	1.0994	4.1080	3.4758	1.7766	4.9714	4.5317	4.1753	1.7616		4.5317	4.1753
H12	2.5665	4.1080	3.6404	1.0994	4.9714	3.4758	1.7766	4.1753	4.5317	4.1753	4.5317		1.7616
H13	2.5665	4.1080	3.6404	1.0994	4.9714	3.4758	1.7766	4.5317	4.1753	4.5317	4.1753	1.7616

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Al1	C2	H5	112.833	Al1	C2	H8	110.592
Al1	C2	H9	110.592	Al1	C3	H6	112.833
Al1	C3	H10	110.592	Al1	C3	H11	110.592
Al1	C4	H7	112.833	Al1	C4	H12	110.592
Al1	C4	H13	110.592	C2	Al1	C3	120.000
C2	Al1	C4	120.000	C3	Al1	C4	120.000
H5	C2	H8	108.047	H5	C2	H9	108.047
H6	C3	H10	108.047	H6	C3	H11	108.047
H7	C4	H12	108.047	H7	C4	H13	108.047
H8	C2	H9	106.479	H10	C3	H11	106.479
H12	C4	H13	106.479

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

using model chemistry: M06-2X/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	0.943
2	C	-0.914
3	C	-0.914
4	C	-0.914
5	H	0.201
6	H	0.201
7	H	0.201
8	H	0.199
9	H	0.199
10	H	0.199
11	H	0.199
12	H	0.199
13	H	0.199

	x	y	z
x	7.926	-0.001	0.000
y	-0.001	7.871	0.000
z	0.000	0.000	6.238

<r²>	150.601
(<r²>)^1/2	12.272

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

using model chemistry: M06-2X/3-21G*

States and conformations

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