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	hartrees
Energy at 0K	-1707.321024
Energy at 298.15K	-1707.324488
HF Energy	-1707.321024
Nuclear repulsion energy	438.308107

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3165	2881	0.48
2	A₁	1421	1294	20.40
3	A₁	787	717	68.81
4	A₁	467	425	22.21
5	A₁	247	224	12.90
6	A₂	184	168	0.00
7	E	3245	2954	3.92
7	E	3245	2954	3.92
8	E	1567	1427	3.17
8	E	1567	1427	3.17
9	E	886	807	74.82
9	E	886	807	74.82
10	E	596	543	168.64
10	E	596	543	168.64
11	E	233	212	4.16
11	E	233	212	4.16
12	E	164	149	0.54
12	E	164	149	0.54

Atom	x (Å)	y (Å)	z (Å)
Si1	0.000	0.000	0.259
C2	0.000	0.000	2.110
Cl3	0.000	1.916	-0.465
Cl4	1.660	-0.958	-0.465
Cl5	-1.660	-0.958	-0.465
H6	0.000	-1.017	2.482
H7	0.881	0.509	2.482
H8	-0.881	0.509	2.482

	Si1	C2	Cl3	Cl4	Cl5	H6	H7	H8
Si1		1.8509	2.0489	2.0489	2.0489	2.4447	2.4447	2.4447
C2	1.8509		3.2104	3.2104	3.2104	1.0832	1.0832	1.0832
Cl3	2.0489	3.2104		3.3194	3.3194	4.1588	3.3834	3.3834
Cl4	2.0489	3.2104	3.3194		3.3194	3.3834	3.3834	4.1588
Cl5	2.0489	3.2104	3.3194	3.3194		3.3834	4.1588	3.3834
H6	2.4447	1.0832	4.1588	3.3834	3.3834		1.7619	1.7619
H7	2.4447	1.0832	3.3834	3.3834	4.1588	1.7619		1.7619
H8	2.4447	1.0832	3.3834	4.1588	3.3834	1.7619	1.7619

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Si1	C2	H6	110.095	Si1	C2	H7	110.095
Si1	C2	H8	110.095	C2	Si1	Cl3	110.716
C2	Si1	Cl4	110.716	C2	Si1	Cl5	110.716
Cl3	Si1	Cl4	108.199	Cl3	Si1	Cl5	108.199
Cl4	Si1	Cl5	108.199	H6	C2	H7	108.840
H6	C2	H8	108.840	H7	C2	H8	108.840

All results from a given calculation for SiCl₃CH₃ (methyltrichlorosilane)

using model chemistry: HF/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	1.239
2	C	-0.962
3	Cl	-0.383
4	Cl	-0.383
5	Cl	-0.383
6	H	0.290
7	H	0.290
8	H	0.290

<r²>	283.938
(<r²>)^1/2	16.850

All results from a given calculation for SiCl3CH3 (methyltrichlorosilane)

using model chemistry: HF/aug-cc-pVTZ

States and conformations

All results from a given calculation for SiCl₃CH₃ (methyltrichlorosilane)