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	hartrees
Energy at 0K	-1707.950094
Energy at 298.15K	-1707.953337
HF Energy	-1707.233279
Nuclear repulsion energy	434.319684

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3075	3075	0.39
2	A₁	1303	1303	15.19
3	A₁	768	768	80.09
4	A₁	449	449	20.42
5	A₁	231	231	13.93
6	A₂	167	167	0.00
7	E	3178	3178	1.24
7	E	3178	3178	1.24
8	E	1451	1451	2.65
8	E	1451	1451	2.65
9	E	824	824	84.99
9	E	824	824	84.98
10	E	590	590	150.71
10	E	590	590	150.72
11	E	215	215	4.80
11	E	215	215	4.80
12	E	154	154	0.48
12	E	154	154	0.48

Atom	x (Å)	y (Å)	z (Å)
Si1	0.000	0.000	0.258
C2	0.000	0.000	2.117
Cl3	0.000	1.937	-0.467
Cl4	1.678	-0.969	-0.467
Cl5	-1.678	-0.969	-0.467
H6	0.000	-1.037	2.494
H7	0.898	0.518	2.494
H8	-0.898	0.518	2.494

	Si1	C2	Cl3	Cl4	Cl5	H6	H7	H8
Si1		1.8596	2.0680	2.0680	2.0680	2.4654	2.4654	2.4654
C2	1.8596		3.2292	3.2292	3.2292	1.1033	1.1033	1.1033
Cl3	2.0680	3.2292		3.3551	3.3551	4.1965	3.4038	3.4038
Cl4	2.0680	3.2292	3.3551		3.3551	3.4038	3.4038	4.1965
Cl5	2.0680	3.2292	3.3551	3.3551		3.4038	4.1965	3.4038
H6	2.4654	1.1033	4.1965	3.4038	3.4038		1.7958	1.7958
H7	2.4654	1.1033	3.4038	3.4038	4.1965	1.7958		1.7958
H8	2.4654	1.1033	3.4038	4.1965	3.4038	1.7958	1.7958

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	110.496
C2	Si1	Cl4	110.496	C2	Si1	Cl5	110.496
Cl3	Si1	Cl4	108.427	Cl3	Si1	Cl5	108.427
Cl4	Si1	Cl5	108.427	H6	C2	H7	108.947
H6	C2	H8	108.947	H7	C2	H8	108.947

All results from a given calculation for SiCl₃CH₃ (methyltrichlorosilane)

using model chemistry: CCSD=FULL/cc-pVDZ

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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All results from a given calculation for SiCl3CH3 (methyltrichlorosilane)

using model chemistry: CCSD=FULL/cc-pVDZ

States and conformations

All results from a given calculation for SiCl₃CH₃ (methyltrichlorosilane)