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	hartrees
Energy at 0K	-1709.409078
Energy at 298.15K	-1709.412089
HF Energy	-1709.409078
Nuclear repulsion energy	431.167939

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2986	2969	0.03
2	A₁	1215	1208	13.08
3	A₁	731	727	74.62
4	A₁	424	422	19.98
5	A₁	217	215	10.15
6	A₂	147	146	0.00
7	E	3092	3074	0.04
7	E	3092	3074	0.04
8	E	1369	1361	2.61
8	E	1369	1361	2.61
9	E	788	784	81.18
9	E	788	784	81.18
10	E	555	552	136.38
10	E	555	552	136.38
11	E	204	203	2.09
11	E	204	203	2.09
12	E	145	144	0.66
12	E	145	144	0.66

Atom	x (Å)	y (Å)	z (Å)
Si1	0.000	0.000	0.268
C2	0.000	0.000	2.136
Cl3	0.000	1.950	-0.472
Cl4	1.688	-0.975	-0.472
Cl5	-1.688	-0.975	-0.472
H6	0.000	-1.043	2.510
H7	0.903	0.522	2.510
H8	-0.903	0.522	2.510

	Si1	C2	Cl3	Cl4	Cl5	H6	H7	H8
Si1		1.8680	2.0854	2.0854	2.0854	2.4726	2.4726	2.4726
C2	1.8680		3.2563	3.2563	3.2563	1.1080	1.1080	1.1080
Cl3	2.0854	3.2563		3.3769	3.3769	4.2247	3.4275	3.4275
Cl4	2.0854	3.2563	3.3769		3.3769	3.4275	3.4275	4.2247
Cl5	2.0854	3.2563	3.3769	3.3769		3.4275	4.2247	3.4275
H6	2.4726	1.1080	4.2247	3.4275	3.4275		1.8065	1.8065
H7	2.4726	1.1080	3.4275	3.4275	4.2247	1.8065		1.8065
H8	2.4726	1.1080	3.4275	4.2247	3.4275	1.8065	1.8065

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Si1	C2	H6	109.717	Si1	C2	H7	109.717
Si1	C2	H8	109.717	C2	Si1	Cl3	110.790
C2	Si1	Cl4	110.790	C2	Si1	Cl5	110.790
Cl3	Si1	Cl4	108.121	Cl3	Si1	Cl5	108.121
Cl4	Si1	Cl5	108.121	H6	C2	H7	109.224
H6	C2	H8	109.224	H7	C2	H8	109.224

All results from a given calculation for SiCl₃CH₃ (methyltrichlorosilane)

using model chemistry: PBEPBEultrafine/cc-pVDZ

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	0.460
2	C	-0.188
3	Cl	-0.173
4	Cl	-0.173
5	Cl	-0.173
6	H	0.082
7	H	0.082
8	H	0.082

<r²>	291.292
(<r²>)^1/2	17.067

All results from a given calculation for SiCl3CH3 (methyltrichlorosilane)

using model chemistry: PBEPBEultrafine/cc-pVDZ

States and conformations

All results from a given calculation for SiCl₃CH₃ (methyltrichlorosilane)