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	hartrees
Energy at 0K	-1701.419131
Energy at 298.15K	-1701.422309
HF Energy	-1701.419131
Nuclear repulsion energy	436.545369

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2975	2837	0.39
2	A₁	1319	1258	37.88
3	A₁	758	723	76.36
4	A₁	440	420	19.44
5	A₁	226	216	12.54
6	A₂	155	148	0.00
7	E	3064	2921	0.54
7	E	3064	2921	0.55
8	E	1465	1397	5.76
8	E	1465	1397	5.76
9	E	843	804	102.71
9	E	843	804	102.71
10	E	580	553	140.19
10	E	580	553	140.18
11	E	212	202	2.79
11	E	212	202	2.79
12	E	154	147	0.75
12	E	154	147	0.75

Atom	x (Å)	y (Å)	z (Å)
Si1	0.000	0.000	0.250
C2	0.000	0.000	2.112
Cl3	0.000	1.926	-0.464
Cl4	1.668	-0.963	-0.464
Cl5	-1.668	-0.963	-0.464
H6	0.000	-1.037	2.494
H7	0.898	0.519	2.494
H8	-0.898	0.519	2.494

	Si1	C2	Cl3	Cl4	Cl5	H6	H7	H8
Si1		1.8617	2.0541	2.0541	2.0541	2.4714	2.4714	2.4714
C2	1.8617		3.2164	3.2164	3.2164	1.1053	1.1053	1.1053
Cl3	2.0541	3.2164		3.3356	3.3356	4.1866	3.3963	3.3963
Cl4	2.0541	3.2164	3.3356		3.3356	3.3963	3.3963	4.1866
Cl5	2.0541	3.2164	3.3356	3.3356		3.3963	4.1866	3.3963
H6	2.4714	1.1053	4.1866	3.3963	3.3963		1.7967	1.7967
H7	2.4714	1.1053	3.3963	3.3963	4.1866	1.7967		1.7967
H8	2.4714	1.1053	3.3963	4.1866	3.3963	1.7967	1.7967

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Si1	C2	H6	110.194	Si1	C2	H7	110.194
Si1	C2	H8	110.194	C2	Si1	Cl3	110.353
C2	Si1	Cl4	110.353	C2	Si1	Cl5	110.353
Cl3	Si1	Cl4	108.575	Cl3	Si1	Cl5	108.575
Cl4	Si1	Cl5	108.575	H6	C2	H7	108.739
H6	C2	H8	108.739	H7	C2	H8	108.739

All results from a given calculation for SiCl₃CH₃ (methyltrichlorosilane)

using model chemistry: PBEPBE/3-21G*

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	0.841
2	C	-0.884
3	Cl	-0.231
4	Cl	-0.231
5	Cl	-0.231
6	H	0.245
7	H	0.245
8	H	0.245

<r²>	285.670
(<r²>)^1/2	16.902

All results from a given calculation for SiCl3CH3 (methyltrichlorosilane)

using model chemistry: PBEPBE/3-21G*

States and conformations

All results from a given calculation for SiCl₃CH₃ (methyltrichlorosilane)