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	hartrees
Energy at 0K	-1710.170382
Energy at 298.15K	-1710.173629
HF Energy	-1710.170382
Nuclear repulsion energy	437.635088

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3088	2929	0.33
2	A₁	1340	1271	30.20
3	A₁	764	725	76.83
4	A₁	451	427	21.96
5	A₁	235	222	14.25
6	A₂	170	161	0.00
7	E	3185	3020	0.29
7	E	3185	3020	0.29
8	E	1482	1405	5.02
8	E	1482	1405	5.02
9	E	847	803	100.45
9	E	847	803	100.44
10	E	590	559	156.35
10	E	590	559	156.34
11	E	219	208	3.57
11	E	219	208	3.57
12	E	155	147	0.74
12	E	155	147	0.74

Atom	x (Å)	y (Å)	z (Å)
Si1	0.000	0.000	0.255
C2	0.000	0.000	2.107
Cl3	0.000	1.921	-0.464
Cl4	1.664	-0.960	-0.464
Cl5	-1.664	-0.960	-0.464
H6	0.000	-1.026	2.485
H7	0.889	0.513	2.485
H8	-0.889	0.513	2.485

	Si1	C2	Cl3	Cl4	Cl5	H6	H7	H8
Si1		1.8525	2.0510	2.0510	2.0510	2.4549	2.4549	2.4549
C2	1.8525		3.2094	3.2094	3.2094	1.0934	1.0934	1.0934
Cl3	2.0510	3.2094		3.3272	3.3272	4.1689	3.3863	3.3863
Cl4	2.0510	3.2094	3.3272		3.3272	3.3863	3.3863	4.1689
Cl5	2.0510	3.2094	3.3272	3.3272		3.3863	4.1689	3.3863
H6	2.4549	1.0934	4.1689	3.3863	3.3863		1.7772	1.7772
H7	2.4549	1.0934	3.3863	3.3863	4.1689	1.7772		1.7772
H8	2.4549	1.0934	3.3863	4.1689	3.3863	1.7772	1.7772

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Si1	C2	H6	110.208	Si1	C2	H7	110.208
Si1	C2	H8	110.208	C2	Si1	Cl3	110.508
C2	Si1	Cl4	110.508	C2	Si1	Cl5	110.508
Cl3	Si1	Cl4	108.415	Cl3	Si1	Cl5	108.415
Cl4	Si1	Cl5	108.414	H6	C2	H7	108.724
H6	C2	H8	108.724	H7	C2	H8	108.724

All results from a given calculation for SiCl₃CH₃ (methyltrichlorosilane)

using model chemistry: mPW1PW91/6-31G*

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	0.654
2	C	-0.746
3	Cl	-0.200
4	Cl	-0.200
5	Cl	-0.200
6	H	0.230
7	H	0.230
8	H	0.230

<r²>	284.353
(<r²>)^1/2	16.863

All results from a given calculation for SiCl3CH3 (methyltrichlorosilane)

using model chemistry: mPW1PW91/6-31G*

States and conformations

All results from a given calculation for SiCl₃CH₃ (methyltrichlorosilane)