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	hartrees
Energy at 0K	-1705.795552
Energy at 298.15K	-1705.798634
HF Energy	-1705.795552
Nuclear repulsion energy	440.495035

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2982	2954	2.22
2	A₁	1213	1202	38.34
3	A₁	766	758	59.52
4	A₁	445	441	16.59
5	A₁	220	218	8.88
6	A₂	153	152	0.00
7	E	3081	3052	0.43
7	E	3081	3052	0.43
8	E	1365	1352	5.07
8	E	1365	1352	5.08
9	E	779	772	79.89
9	E	779	772	79.86
10	E	574	569	117.67
10	E	574	569	117.62
11	E	204	202	2.07
11	E	204	202	2.06
12	E	144	143	0.53
12	E	144	143	0.53

Atom	x (Å)	y (Å)	z (Å)
Si1	0.000	0.000	0.263
C2	0.000	0.000	2.093
Cl3	0.000	1.906	-0.464
Cl4	1.651	-0.953	-0.464
Cl5	-1.651	-0.953	-0.464
H6	0.000	-1.033	2.466
H7	0.895	0.517	2.466
H8	-0.895	0.517	2.466

	Si1	C2	Cl3	Cl4	Cl5	H6	H7	H8
Si1		1.8298	2.0400	2.0400	2.0400	2.4328	2.4328	2.4328
C2	1.8298		3.1891	3.1891	3.1891	1.0984	1.0984	1.0984
Cl3	2.0400	3.1891		3.3014	3.3014	4.1499	3.3635	3.3635
Cl4	2.0400	3.1891	3.3014		3.3014	3.3635	3.3635	4.1499
Cl5	2.0400	3.1891	3.3014	3.3014		3.3635	4.1499	3.3635
H6	2.4328	1.0984	4.1499	3.3635	3.3635		1.7895	1.7895
H7	2.4328	1.0984	3.3635	3.3635	4.1499	1.7895		1.7895
H8	2.4328	1.0984	3.3635	4.1499	3.3635	1.7895	1.7895

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Si1	C2	H6	109.835	Si1	C2	H7	109.835
Si1	C2	H8	109.835	C2	Si1	Cl3	110.877
C2	Si1	Cl4	110.877	C2	Si1	Cl5	110.877
Cl3	Si1	Cl4	108.029	Cl3	Si1	Cl5	108.029
Cl4	Si1	Cl5	108.029	H6	C2	H7	109.105
H6	C2	H8	109.105	H7	C2	H8	109.105

All results from a given calculation for SiCl₃CH₃ (methyltrichlorosilane)

using model chemistry: LSDA/aug-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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Number	Element	Mulliken
1	Si	1.060
2	C	-0.699
3	Cl	-0.321
4	Cl	-0.321
5	Cl	-0.321
6	H	0.200
7	H	0.200
8	H	0.200

	x	y	z
x	12.177	0.000	0.000
y	0.000	12.180	-0.001
z	0.000	-0.001	11.572

<r²>	280.620
(<r²>)^1/2	16.752

All results from a given calculation for SiCl3CH3 (methyltrichlorosilane)

using model chemistry: LSDA/aug-cc-pVTZ

States and conformations

All results from a given calculation for SiCl₃CH₃ (methyltrichlorosilane)