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	hartrees
Energy at 0K	-54.877540
Energy at 298.15K	-54.881017
HF Energy	-54.877540
Nuclear repulsion energy	84.643906

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2279	2054	48.34
2	A₁	940	848	298.56
3	A₁	899	810	4.51
4	A₁	421	380	14.00
5	A₁	290	261	15.39
6	A₂	166	150	0.00
7	E	2312	2084	128.96
7	E	2312	2084	128.96
8	E	973	877	84.43
8	E	973	877	84.43
9	E	799	720	52.15
9	E	799	720	52.15
10	E	638	575	89.63
10	E	638	575	89.63
11	E	285	257	0.39
11	E	285	257	0.39
12	E	182	164	0.00
12	E	182	164	0.00

Atom	x (Å)	y (Å)	z (Å)
Si1	0.000	0.000	1.935
C2	0.000	0.000	-0.030
H3	0.000	-1.427	2.357
H4	1.236	0.714	2.357
H5	-1.236	0.714	2.357
Cl6	0.000	1.736	-0.666
Cl7	1.504	-0.868	-0.666
Cl8	-1.504	-0.868	-0.666

	Si1	C2	H3	H4	H5	Cl6	Cl7	Cl8
Si1		1.9647	1.4883	1.4883	1.4883	3.1277	3.1277	3.1277
C2	1.9647		2.7811	2.7811	2.7811	1.8495	1.8495	1.8495
H3	1.4883	2.7811		2.4718	2.4718	4.3762	3.4230	3.4230
H4	1.4883	2.7811	2.4718		2.4718	3.4230	3.4230	4.3762
H5	1.4883	2.7811	2.4718	2.4718		3.4230	4.3762	3.4230
Cl6	3.1277	1.8495	4.3762	3.4230	3.4230		3.0076	3.0076
Cl7	3.1277	1.8495	3.4230	3.4230	4.3762	3.0076		3.0076
Cl8	3.1277	1.8495	3.4230	4.3762	3.4230	3.0076	3.0076

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Si1	C2	Cl6	110.136	Si1	C2	Cl7	110.136
Si1	C2	Cl8	110.136	C2	Si1	H3	106.488
C2	Si1	H4	106.488	C2	Si1	H5	106.488
H3	Si1	H4	112.282	H3	Si1	H5	112.282
H4	Si1	H5	112.283	Cl6	C2	Cl7	108.799
Cl6	C2	Cl8	108.799	Cl7	C2	Cl8	108.799

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

using model chemistry: HF/CEP-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	0.727
2	C	-0.512
3	H	-0.102
4	H	-0.102
5	H	-0.102
6	Cl	0.031
7	Cl	0.031
8	Cl	0.031

<r²>	146.104
(<r²>)^1/2	12.087

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

using model chemistry: HF/CEP-31G

States and conformations

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