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	hartrees
Energy at 0K	-1709.289497
Energy at 298.15K	-1709.292906
HF Energy	-1709.080925
Nuclear repulsion energy	435.546901

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2309	2309	51.51
2	A₁	952	952	249.12
3	A₁	889	889	41.36
4	A₁	430	430	7.93
5	A₁	287	287	10.06
6	A₂	189	189	0.00
7	E	2331	2331	103.31
7	E	2331	2331	103.31
8	E	969	969	64.31
8	E	969	969	64.31
9	E	764	764	51.13
9	E	764	764	51.12
10	E	619	619	75.77
10	E	619	619	75.76
11	E	277	277	0.00
11	E	277	277	0.00
12	E	166	166	0.01
12	E	166	166	0.01

Atom	x (Å)	y (Å)	z (Å)
Si1	0.000	0.000	1.879
C2	0.000	0.000	-0.047
H3	0.000	-1.407	2.317
H4	1.219	0.704	2.317
H5	-1.219	0.704	2.317
Cl6	0.000	1.693	-0.647
Cl7	1.466	-0.846	-0.647
Cl8	-1.466	-0.846	-0.647

	Si1	C2	H3	H4	H5	Cl6	Cl7	Cl8
Si1		1.9258	1.4739	1.4739	1.4739	3.0406	3.0406	3.0406
C2	1.9258		2.7511	2.7511	2.7511	1.7961	1.7961	1.7961
H3	1.4739	2.7511		2.4375	2.4375	4.2890	3.3539	3.3539
H4	1.4739	2.7511	2.4375		2.4375	3.3539	3.3539	4.2890
H5	1.4739	2.7511	2.4375	2.4375		3.3539	4.2890	3.3539
Cl6	3.0406	1.7961	4.2890	3.3539	3.3539		2.9322	2.9322
Cl7	3.0406	1.7961	3.3539	3.3539	4.2890	2.9322		2.9322
Cl8	3.0406	1.7961	3.3539	4.2890	3.3539	2.9322	2.9322

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Si1	C2	Cl6	109.513	Si1	C2	Cl7	109.513
Si1	C2	Cl8	109.513	C2	Si1	H3	107.293
C2	Si1	H4	107.293	C2	Si1	H5	107.293
H3	Si1	H4	111.559	H3	Si1	H5	111.559
H4	Si1	H5	111.559	Cl6	C2	Cl7	109.429
Cl6	C2	Cl8	109.429	Cl7	C2	Cl8	109.429

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

using model chemistry: B2PLYP/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	0.600
2	C	-0.442
3	H	-0.087
4	H	-0.087
5	H	-0.087
6	Cl	0.034
7	Cl	0.034
8	Cl	0.034

<r²>	275.202
(<r²>)^1/2	16.589

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

using model chemistry: B2PLYP/6-31G**

States and conformations

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