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	hartrees
Energy at 0K	-1707.967293
Energy at 298.15K	-1707.970541
HF Energy	-1707.245498
Nuclear repulsion energy	434.058913

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3073	2979	0.10
2	A₁	1281	1241	20.79
3	A₁	772	749	62.70
4	A₁	443	429	18.43
5	A₁	226	219	11.60
6	A₂	202	196	0.00
7	E	3186	3088	0.23
7	E	3186	3088	0.23
8	E	1438	1394	2.83
8	E	1438	1394	2.83
9	E	822	796	70.39
9	E	822	796	70.39
10	E	576	558	143.72
10	E	576	558	143.72
11	E	210	204	3.76
11	E	210	204	3.76
12	E	149	145	0.48
12	E	149	145	0.48

Atom	x (Å)	y (Å)	z (Å)
Si1	0.000	0.000	0.265
C2	0.000	0.000	2.117
Cl3	0.000	1.938	-0.468
Cl4	1.678	-0.969	-0.468
Cl5	-1.678	-0.969	-0.468
H6	0.000	-1.035	2.489
H7	0.897	0.518	2.489
H8	-0.897	0.518	2.489

	Si1	C2	Cl3	Cl4	Cl5	H6	H7	H8
Si1		1.8515	2.0722	2.0722	2.0722	2.4524	2.4524	2.4524
C2	1.8515		3.2309	3.2309	3.2309	1.1000	1.1000	1.1000
Cl3	2.0722	3.2309		3.3566	3.3566	4.1933	3.4006	3.4006
Cl4	2.0722	3.2309	3.3566		3.3566	3.4006	3.4006	4.1933
Cl5	2.0722	3.2309	3.3566	3.3566		3.4006	4.1933	3.4006
H6	2.4524	1.1000	4.1933	3.4006	3.4006		1.7933	1.7933
H7	2.4524	1.1000	3.4006	3.4006	4.1933	1.7933		1.7933
H8	2.4524	1.1000	3.4006	4.1933	3.4006	1.7933	1.7933

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Si1	C2	H6	109.744	Si1	C2	H7	109.744
Si1	C2	H8	109.744	C2	Si1	Cl3	110.737
C2	Si1	Cl4	110.737	C2	Si1	Cl5	110.737
Cl3	Si1	Cl4	108.176	Cl3	Si1	Cl5	108.176
Cl4	Si1	Cl5	108.176	H6	C2	H7	109.197
H6	C2	H8	109.197	H7	C2	H8	109.197

All results from a given calculation for SiCl₃CH₃ (methyltrichlorosilane)

using model chemistry: MP2=FULL/aug-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: MP2=FULL/aug-cc-pVDZ

States and conformations

All results from a given calculation for SiCl₃CH₃ (methyltrichlorosilane)