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	hartrees
Energy at 0K	-1709.943246
Energy at 298.15K	-1709.946462
HF Energy	-1709.943246
Nuclear repulsion energy	436.603123

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3071	2938	0.22
2	A₁	1332	1274	28.07
3	A₁	757	724	76.24
4	A₁	445	426	21.92
5	A₁	233	223	13.83
6	A₂	168	160	0.00
7	E	3166	3029	0.43
7	E	3166	3029	0.43
8	E	1475	1411	4.79
8	E	1475	1411	4.79
9	E	843	807	98.04
9	E	843	807	98.03
10	E	582	557	155.70
10	E	582	557	155.70
11	E	218	209	3.33
11	E	218	209	3.33
12	E	154	148	0.74
12	E	154	148	0.74

Atom	x (Å)	y (Å)	z (Å)
Si1	0.000	0.000	0.256
C2	0.000	0.000	2.111
Cl3	0.000	1.926	-0.465
Cl4	1.668	-0.963	-0.465
Cl5	-1.668	-0.963	-0.465
H6	0.000	-1.027	2.489
H7	0.890	0.514	2.489
H8	-0.890	0.514	2.489

	Si1	C2	Cl3	Cl4	Cl5	H6	H7	H8
Si1		1.8556	2.0562	2.0562	2.0562	2.4588	2.4588	2.4588
C2	1.8556		3.2165	3.2165	3.2165	1.0949	1.0949	1.0949
Cl3	2.0562	3.2165		3.3354	3.3354	4.1774	3.3933	3.3933
Cl4	2.0562	3.2165	3.3354		3.3354	3.3933	3.3933	4.1774
Cl5	2.0562	3.2165	3.3354	3.3354		3.3933	4.1774	3.3933
H6	2.4588	1.0949	4.1774	3.3933	3.3933		1.7797	1.7797
H7	2.4588	1.0949	3.3933	3.3933	4.1774	1.7797		1.7797
H8	2.4588	1.0949	3.3933	4.1774	3.3933	1.7797	1.7797

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Si1	C2	H6	110.205	Si1	C2	H7	110.205
Si1	C2	H8	110.205	C2	Si1	Cl3	110.519
C2	Si1	Cl4	110.519	C2	Si1	Cl5	110.519
Cl3	Si1	Cl4	108.403	Cl3	Si1	Cl5	108.403
Cl4	Si1	Cl5	108.403	H6	C2	H7	108.728
H6	C2	H8	108.728	H7	C2	H8	108.728

All results from a given calculation for SiCl₃CH₃ (methyltrichlorosilane)

using model chemistry: B3PW91/6-31G*

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	0.643
2	C	-0.731
3	Cl	-0.198
4	Cl	-0.198
5	Cl	-0.198
6	H	0.227
7	H	0.227
8	H	0.227

<r²>	285.517
(<r²>)^1/2	16.897

All results from a given calculation for SiCl3CH3 (methyltrichlorosilane)

using model chemistry: B3PW91/6-31G*

States and conformations

All results from a given calculation for SiCl₃CH₃ (methyltrichlorosilane)