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	hartrees
Energy at 0K	-361.404565
Energy at 298.15K
HF Energy	-360.780234
Nuclear repulsion energy	151.605377

Atom	x (Å)	y (Å)	z (Å)
Al1	0.000	0.000	0.000
C2	0.000	1.952	0.000
C3	-1.691	-0.976	0.000
C4	1.691	-0.976	0.000
H5	-0.995	2.395	0.000
H6	-1.577	-2.060	0.000
H7	2.572	-0.336	0.000
H8	0.530	2.344	0.871
H9	0.530	2.344	-0.871
H10	-2.295	-0.713	0.871
H11	-2.295	-0.713	-0.871
H12	1.765	-1.631	0.871
H13	1.765	-1.631	-0.871

	Al1	C2	C3	C4	H5	H6	H7	H8	H9	H10	H11	H12	H13
Al1		1.9522	1.9522	1.9522	2.5939	2.5939	2.5939	2.5560	2.5560	2.5560	2.5560	2.5560	2.5560
C2	1.9522		3.3814	3.3814	1.0894	4.3106	3.4425	1.0922	1.0922	3.6231	3.6231	4.0882	4.0882
C3	1.9522	3.3814		3.3814	3.4425	1.0894	4.3106	4.0882	4.0882	1.0922	1.0922	3.6231	3.6231
C4	1.9522	3.3814	3.3814		4.3106	3.4425	1.0894	3.6231	3.6231	4.0882	4.0882	1.0922	1.0922
H5	2.5939	1.0894	3.4425	4.3106		4.4928	4.4928	1.7574	1.7574	3.4796	3.4796	4.9587	4.9587
H6	2.5939	4.3106	1.0894	3.4425	4.4928		4.4928	4.9587	4.9587	1.7574	1.7574	3.4796	3.4796
H7	2.5939	3.4425	4.3106	1.0894	4.4928	4.4928		3.4796	3.4796	4.9587	4.9587	1.7574	1.7574
H8	2.5560	1.0922	4.0882	3.6231	1.7574	4.9587	3.4796		1.7417	4.1623	4.5120	4.1623	4.5120
H9	2.5560	1.0922	4.0882	3.6231	1.7574	4.9587	3.4796	1.7417		4.5120	4.1623	4.5120	4.1623
H10	2.5560	3.6231	1.0922	4.0882	3.4796	1.7574	4.9587	4.1623	4.5120		1.7417	4.1623	4.5120
H11	2.5560	3.6231	1.0922	4.0882	3.4796	1.7574	4.9587	4.5120	4.1623	1.7417		4.5120	4.1623
H12	2.5560	4.0882	3.6231	1.0922	4.9587	3.4796	1.7574	4.1623	4.5120	4.1623	4.5120		1.7417
H13	2.5560	4.0882	3.6231	1.0922	4.9587	3.4796	1.7574	4.5120	4.1623	4.5120	4.1623	1.7417

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Al1	C2	H5	114.002	Al1	C2	H8	111.011
Al1	C2	H9	111.011	Al1	C3	H6	114.002
Al1	C3	H10	111.011	Al1	C3	H11	111.011
Al1	C4	H7	114.002	Al1	C4	H12	111.011
Al1	C4	H13	111.011	C2	Al1	C3	120.000
C2	Al1	C4	120.000	C3	Al1	C4	120.000
H5	C2	H8	107.321	H5	C2	H9	107.321
H6	C3	H10	107.321	H6	C3	H11	107.321
H7	C4	H12	107.321	H7	C4	H13	107.321
H8	C2	H9	105.746	H10	C3	H11	105.746
H12	C4	H13	105.746

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

using model chemistry: MP2=FULL/6-31G(2df,p)

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

using model chemistry: MP2=FULL/6-31G(2df,p)

States and conformations

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