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	hartrees
Energy at 0K	-1707.820650
Energy at 298.15K	-1707.824106
HF Energy	-1707.248962
Nuclear repulsion energy	440.427085

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3139	2904	0.06
2	A₁	1406	1301	39.06
3	A₁	796	736	81.15
4	A₁	468	433	25.20
5	A₁	248	230	17.40
6	A₂	181	167	0.00
7	E	3227	2986	1.29
7	E	3227	2986	1.29
8	E	1527	1413	6.52
8	E	1527	1413	6.52
9	E	882	816	96.14
9	E	882	816	96.15
10	E	605	560	178.44
10	E	605	560	178.43
11	E	233	215	6.10
11	E	233	215	6.10
12	E	168	155	0.36
12	E	168	155	0.36

Atom	x (Å)	y (Å)	z (Å)
Si1	0.000	0.000	0.254
C2	0.000	0.000	2.095
Cl3	0.000	1.908	-0.462
Cl4	1.652	-0.954	-0.462
Cl5	-1.652	-0.954	-0.462
H6	0.000	-1.018	2.477
H7	0.882	0.509	2.477
H8	-0.882	0.509	2.477

	Si1	C2	Cl3	Cl4	Cl5	H6	H7	H8
Si1		1.8408	2.0377	2.0377	2.0377	2.4455	2.4455	2.4455
C2	1.8408		3.1899	3.1899	3.1899	1.0878	1.0878	1.0878
Cl3	2.0377	3.1899		3.3045	3.3045	4.1474	3.3723	3.3723
Cl4	2.0377	3.1899	3.3045		3.3045	3.3723	3.3723	4.1474
Cl5	2.0377	3.1899	3.3045	3.3045		3.3723	4.1474	3.3723
H6	2.4455	1.0878	4.1474	3.3723	3.3723		1.7638	1.7638
H7	2.4455	1.0878	3.3723	3.3723	4.1474	1.7638		1.7638
H8	2.4455	1.0878	3.3723	4.1474	3.3723	1.7638	1.7638

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Si1	C2	H6	110.592	Si1	C2	H7	110.592
Si1	C2	H8	110.592	C2	Si1	Cl3	110.563
C2	Si1	Cl4	110.563	C2	Si1	Cl5	110.563
Cl3	Si1	Cl4	108.358	Cl3	Si1	Cl5	108.358
Cl4	Si1	Cl5	108.358	H6	C2	H7	108.328
H6	C2	H8	108.328	H7	C2	H8	108.328

All results from a given calculation for SiCl₃CH₃ (methyltrichlorosilane)

using model chemistry: CISD/6-311G*

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: CISD/6-311G*

States and conformations

All results from a given calculation for SiCl₃CH₃ (methyltrichlorosilane)