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	hartrees
Energy at 0K	-1707.796421
Energy at 298.15K	-1707.799782
HF Energy	-1707.149929
Nuclear repulsion energy	438.051258

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3085	2920	0.04
2	A₁	1380	1306	29.32
3	A₁	777	735	78.93
4	A₁	462	438	21.16
5	A₁	241	228	16.08
6	A₂	183	173	0.00
7	E	3178	3008	1.24
7	E	3178	3008	1.24
8	E	1503	1423	4.85
8	E	1503	1423	4.85
9	E	874	827	97.13
9	E	874	827	97.13
10	E	608	576	158.78
10	E	608	576	158.78
11	E	225	213	5.03
11	E	225	213	5.03
12	E	159	151	0.66
12	E	159	151	0.66

Atom	x (Å)	y (Å)	z (Å)
Si1	0.000	0.000	0.251
C2	0.000	0.000	2.106
Cl3	0.000	1.919	-0.463
Cl4	1.662	-0.959	-0.463
Cl5	-1.662	-0.959	-0.463
H6	0.000	-1.027	2.488
H7	0.889	0.514	2.488
H8	-0.889	0.514	2.488

	Si1	C2	Cl3	Cl4	Cl5	H6	H7	H8
Si1		1.8555	2.0474	2.0474	2.0474	2.4618	2.4618	2.4618
C2	1.8555		3.2068	3.2068	3.2068	1.0957	1.0957	1.0957
Cl3	2.0474	3.2068		3.3237	3.3237	4.1699	3.3875	3.3875
Cl4	2.0474	3.2068	3.3237		3.3237	3.3875	3.3875	4.1699
Cl5	2.0474	3.2068	3.3237	3.3237		3.3875	4.1699	3.3875
H6	2.4618	1.0957	4.1699	3.3875	3.3875		1.7789	1.7789
H7	2.4618	1.0957	3.3875	3.3875	4.1699	1.7789		1.7789
H8	2.4618	1.0957	3.3875	4.1699	3.3875	1.7789	1.7789

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Si1	C2	H6	110.390	Si1	C2	H7	110.390
Si1	C2	H8	110.390	C2	Si1	Cl3	110.403
C2	Si1	Cl4	110.403	C2	Si1	Cl5	110.403
Cl3	Si1	Cl4	108.523	Cl3	Si1	Cl5	108.523
Cl4	Si1	Cl5	108.523	H6	C2	H7	108.537
H6	C2	H8	108.537	H7	C2	H8	108.537

All results from a given calculation for SiCl₃CH₃ (methyltrichlorosilane)

using model chemistry: CCD/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: CCD/6-31G*

States and conformations

All results from a given calculation for SiCl₃CH₃ (methyltrichlorosilane)