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	hartrees
Energy at 0K	-1709.483941
Energy at 298.15K	-1709.487184
HF Energy	-1709.483941
Nuclear repulsion energy	437.754433

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3084	2931	0.56
2	A₁	1333	1267	31.63
3	A₁	766	728	76.58
4	A₁	452	429	21.81
5	A₁	234	223	14.17
6	A₂	168	160	0.00
7	E	3182	3023	0.16
7	E	3182	3023	0.16
8	E	1475	1402	5.10
8	E	1475	1402	5.10
9	E	843	801	101.62
9	E	843	801	101.61
10	E	591	562	154.34
10	E	591	562	154.36
11	E	218	208	3.54
11	E	218	208	3.54
12	E	155	147	0.73
12	E	155	147	0.73

Atom	x (Å)	y (Å)	z (Å)
Si1	0.000	0.000	0.254
C2	0.000	0.000	2.107
Cl3	0.000	1.920	-0.464
Cl4	1.663	-0.960	-0.464
Cl5	-1.663	-0.960	-0.464
H6	0.000	-1.027	2.484
H7	0.890	0.514	2.484
H8	-0.890	0.514	2.484

	Si1	C2	Cl3	Cl4	Cl5	H6	H7	H8
Si1		1.8522	2.0503	2.0503	2.0503	2.4553	2.4553	2.4553
C2	1.8522		3.2086	3.2086	3.2086	1.0946	1.0946	1.0946
Cl3	2.0503	3.2086		3.3261	3.3261	4.1691	3.3857	3.3857
Cl4	2.0503	3.2086	3.3261		3.3261	3.3857	3.3857	4.1691
Cl5	2.0503	3.2086	3.3261	3.3261		3.3857	4.1691	3.3857
H6	2.4553	1.0946	4.1691	3.3857	3.3857		1.7794	1.7794
H7	2.4553	1.0946	3.3857	3.3857	4.1691	1.7794		1.7794
H8	2.4553	1.0946	3.3857	4.1691	3.3857	1.7794	1.7794

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Si1	C2	H6	110.192	Si1	C2	H7	110.192
Si1	C2	H8	110.192	C2	Si1	Cl3	110.509
C2	Si1	Cl4	110.509	C2	Si1	Cl5	110.509
Cl3	Si1	Cl4	108.414	Cl3	Si1	Cl5	108.414
Cl4	Si1	Cl5	108.414	H6	C2	H7	108.741
H6	C2	H8	108.741	H7	C2	H8	108.741

All results from a given calculation for SiCl₃CH₃ (methyltrichlorosilane)

using model chemistry: PBE1PBE/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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Number	Element	Mulliken
1	Si	0.641
2	C	-0.748
3	Cl	-0.196
4	Cl	-0.196
5	Cl	-0.196
6	H	0.232
7	H	0.232
8	H	0.232

<r²>	284.257
(<r²>)^1/2	16.860

All results from a given calculation for SiCl3CH3 (methyltrichlorosilane)

using model chemistry: PBE1PBE/6-31G*

States and conformations

All results from a given calculation for SiCl₃CH₃ (methyltrichlorosilane)