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	hartrees
Energy at 0K	-1708.448933
Energy at 298.15K
HF Energy	-1707.319038
Nuclear repulsion energy	438.970163

Atom	x (Å)	y (Å)	z (Å)
Si1	0.000	0.000	0.254
C2	0.000	0.000	2.098
Cl3	0.000	1.916	-0.462
Cl4	1.659	-0.958	-0.462
Cl5	-1.659	-0.958	-0.462
H6	0.000	-1.023	2.469
H7	0.886	0.511	2.469
H8	-0.886	0.511	2.469

	Si1	C2	Cl3	Cl4	Cl5	H6	H7	H8
Si1		1.8444	2.0455	2.0455	2.0455	2.4399	2.4399	2.4399
C2	1.8444		3.1978	3.1978	3.1978	1.0878	1.0878	1.0878
Cl3	2.0455	3.1978		3.3190	3.3190	4.1506	3.3688	3.3688
Cl4	2.0455	3.1978	3.3190		3.3190	3.3688	3.3688	4.1506
Cl5	2.0455	3.1978	3.3190	3.3190		3.3688	4.1506	3.3688
H6	2.4399	1.0878	4.1506	3.3688	3.3688		1.7712	1.7712
H7	2.4399	1.0878	3.3688	3.3688	4.1506	1.7712		1.7712
H8	2.4399	1.0878	3.3688	4.1506	3.3688	1.7712	1.7712

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Si1	C2	H6	109.932	Si1	C2	H7	109.932
Si1	C2	H8	109.932	C2	Si1	Cl3	110.481
C2	Si1	Cl4	110.481	C2	Si1	Cl5	110.481
Cl3	Si1	Cl4	108.443	Cl3	Si1	Cl5	108.443
Cl4	Si1	Cl5	108.443	H6	C2	H7	109.007
H6	C2	H8	109.007	H7	C2	H8	109.007

All results from a given calculation for SiCl₃CH₃ (methyltrichlorosilane)

using model chemistry: CCSD(T)=FULL/cc-pVTZ

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 SiCl3CH3 (methyltrichlorosilane)

using model chemistry: CCSD(T)=FULL/cc-pVTZ

States and conformations

All results from a given calculation for SiCl₃CH₃ (methyltrichlorosilane)