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	hartrees
Energy at 0K	-1710.197687
Energy at 298.15K	-1710.200898
HF Energy	-1710.197687
Nuclear repulsion energy	438.935186

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3073	2934	0.44
2	A₁	1292	1234	20.59
3	A₁	763	729	69.48
4	A₁	450	430	18.96
5	A₁	231	221	9.94
6	A₂	163	156	0.00
7	E	3174	3030	0.23
7	E	3174	3030	0.23
8	E	1448	1382	2.50
8	E	1448	1382	2.50
9	E	817	780	87.86
9	E	817	780	87.86
10	E	583	557	139.84
10	E	583	557	139.85
11	E	216	206	2.28
11	E	216	206	2.28
12	E	152	145	0.63
12	E	152	145	0.63

Atom	x (Å)	y (Å)	z (Å)
Si1	0.000	0.000	0.259
C2	0.000	0.000	2.104
Cl3	0.000	1.914	-0.464
Cl4	1.657	-0.957	-0.464
Cl5	-1.657	-0.957	-0.464
H6	0.000	-1.026	2.477
H7	0.889	0.513	2.477
H8	-0.889	0.513	2.477

	Si1	C2	Cl3	Cl4	Cl5	H6	H7	H8
Si1		1.8448	2.0458	2.0458	2.0458	2.4441	2.4441	2.4441
C2	1.8448		3.2028	3.2028	3.2028	1.0921	1.0921	1.0921
Cl3	2.0458	3.2028		3.3146	3.3146	4.1589	3.3770	3.3770
Cl4	2.0458	3.2028	3.3146		3.3146	3.3770	3.3770	4.1589
Cl5	2.0458	3.2028	3.3146	3.3146		3.3770	4.1589	3.3770
H6	2.4441	1.0921	4.1589	3.3770	3.3770		1.7776	1.7776
H7	2.4441	1.0921	3.3770	3.3770	4.1589	1.7776		1.7776
H8	2.4441	1.0921	3.3770	4.1589	3.3770	1.7776	1.7776

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Si1	C2	H6	109.990	Si1	C2	H7	109.990
Si1	C2	H8	109.990	C2	Si1	Cl3	110.706
C2	Si1	Cl4	110.706	C2	Si1	Cl5	110.706
Cl3	Si1	Cl4	108.209	Cl3	Si1	Cl5	108.209
Cl4	Si1	Cl5	108.209	H6	C2	H7	108.948
H6	C2	H8	108.948	H7	C2	H8	108.948

All results from a given calculation for SiCl₃CH₃ (methyltrichlorosilane)

using model chemistry: mPW1PW91/6-31G(2df,p)

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	0.499
2	C	-0.548
3	Cl	-0.170
4	Cl	-0.170
5	Cl	-0.170
6	H	0.186
7	H	0.186
8	H	0.186

<r²>	281.989
(<r²>)^1/2	16.793

All results from a given calculation for SiCl3CH3 (methyltrichlorosilane)

using model chemistry: mPW1PW91/6-31G(2df,p)

States and conformations

All results from a given calculation for SiCl₃CH₃ (methyltrichlorosilane)