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	hartrees
Energy at 0K	-1707.843350
Energy at 298.15K	-1707.846707
HF Energy	-1707.149921
Nuclear repulsion energy	438.329210

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3079	2924	0.01
2	A₁	1379	1310	28.83
3	A₁	778	739	78.10
4	A₁	461	438	20.96
5	A₁	240	228	15.73
6	A₂	182	173	0.00
7	E	3169	3010	1.61
7	E	3169	3010	1.61
8	E	1501	1426	4.60
8	E	1501	1426	4.60
9	E	873	829	95.97
9	E	873	829	95.97
10	E	607	577	157.89
10	E	607	577	157.89
11	E	225	214	4.95
11	E	225	214	4.95
12	E	159	151	0.65
12	E	159	151	0.65

Atom	x (Å)	y (Å)	z (Å)
Si1	0.000	0.000	0.251
C2	0.000	0.000	2.104
Cl3	0.000	1.918	-0.462
Cl4	1.661	-0.959	-0.462
Cl5	-1.661	-0.959	-0.462
H6	0.000	-1.027	2.485
H7	0.890	0.514	2.485
H8	-0.890	0.514	2.485

	Si1	C2	Cl3	Cl4	Cl5	H6	H7	H8
Si1		1.8533	2.0462	2.0462	2.0462	2.4597	2.4597	2.4597
C2	1.8533		3.2038	3.2038	3.2038	1.0958	1.0958	1.0958
Cl3	2.0462	3.2038		3.3220	3.3220	4.1670	3.3844	3.3844
Cl4	2.0462	3.2038	3.3220		3.3220	3.3844	3.3844	4.1670
Cl5	2.0462	3.2038	3.3220	3.3220		3.3844	4.1670	3.3844
H6	2.4597	1.0958	4.1670	3.3844	3.3844		1.7791	1.7791
H7	2.4597	1.0958	3.3844	3.3844	4.1670	1.7791		1.7791
H8	2.4597	1.0958	3.3844	4.1670	3.3844	1.7791	1.7791

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Si1	C2	H6	110.384	Si1	C2	H7	110.384
Si1	C2	H8	110.384	C2	Si1	Cl3	110.392
C2	Si1	Cl4	110.392	C2	Si1	Cl5	110.392
Cl3	Si1	Cl4	108.535	Cl3	Si1	Cl5	108.535
Cl4	Si1	Cl5	108.535	H6	C2	H7	108.543
H6	C2	H8	108.543	H7	C2	H8	108.543

All results from a given calculation for SiCl₃CH₃ (methyltrichlorosilane)

using model chemistry: CCSD=FULL/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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All results from a given calculation for SiCl3CH3 (methyltrichlorosilane)

using model chemistry: CCSD=FULL/6-31G*

States and conformations

All results from a given calculation for SiCl₃CH₃ (methyltrichlorosilane)