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	hartrees
Energy at 0K	-1709.984402
Energy at 298.15K	-1709.987462
HF Energy	-1709.984402
Nuclear repulsion energy	427.662753

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2185	2179	45.60
2	A₁	896	894	221.31
3	A₁	823	821	28.08
4	A₁	388	387	10.70
5	A₁	267	266	9.56
6	A₂	185	185	0.00
7	E	2209	2204	76.31
7	E	2209	2204	76.31
8	E	921	918	51.00
8	E	921	918	51.01
9	E	675	673	25.19
9	E	675	673	25.19
10	E	558	557	122.45
10	E	558	557	122.47
11	E	254	253	0.54
11	E	254	253	0.54
12	E	154	153	0.00
12	E	154	153	0.00

Atom	x (Å)	y (Å)	z (Å)
Si1	0.000	0.000	1.905
C2	0.000	0.000	-0.039
H3	0.000	-1.421	2.350
H4	1.231	0.711	2.350
H5	-1.231	0.711	2.350
Cl6	0.000	1.728	-0.657
Cl7	1.497	-0.864	-0.657
Cl8	-1.497	-0.864	-0.657

	Si1	C2	H3	H4	H5	Cl6	Cl7	Cl8
Si1		1.9442	1.4893	1.4893	1.4893	3.0901	3.0901	3.0901
C2	1.9442		2.7798	2.7798	2.7798	1.8354	1.8354	1.8354
H3	1.4893	2.7798		2.4618	2.4618	4.3542	3.4043	3.4043
H4	1.4893	2.7798	2.4618		2.4618	3.4043	3.4043	4.3542
H5	1.4893	2.7798	2.4618	2.4618		3.4043	4.3542	3.4043
Cl6	3.0901	1.8354	4.3542	3.4043	3.4043		2.9937	2.9937
Cl7	3.0901	1.8354	3.4043	3.4043	4.3542	2.9937		2.9937
Cl8	3.0901	1.8354	3.4043	4.3542	3.4043	2.9937	2.9937

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Si1	C2	Cl6	109.655	Si1	C2	Cl7	109.655
Si1	C2	Cl8	109.655	C2	Si1	H3	107.378
C2	Si1	H4	107.378	C2	Si1	H5	107.378
H3	Si1	H4	111.481	H3	Si1	H5	111.481
H4	Si1	H5	111.481	Cl6	C2	Cl7	109.286
Cl6	C2	Cl8	109.286	Cl7	C2	Cl8	109.286

All results from a given calculation for SiH₃CCl₃ ((trichloromethyl)silane)

using model chemistry: BLYP/TZVP

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	0.493
2	C	-0.226
3	H	-0.070
4	H	-0.070
5	H	-0.070
6	Cl	-0.019
7	Cl	-0.019
8	Cl	-0.019

<r²>	284.246
(<r²>)^1/2	16.860

All results from a given calculation for SiH3CCl3 ((trichloromethyl)silane)

using model chemistry: BLYP/TZVP

States and conformations

All results from a given calculation for SiH₃CCl₃ ((trichloromethyl)silane)