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	hartrees
Energy at 0K	-1709.400789
Energy at 298.15K	-1709.404179
HF Energy	-1709.400789
Nuclear repulsion energy	437.772522

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2254	2163	41.88
2	A₁	924	886	163.93
3	A₁	876	840	91.87
4	A₁	436	419	8.51
5	A₁	285	273	8.74
6	A₂	189	181	0.00
7	E	2277	2184	68.79
7	E	2277	2184	68.79
8	E	936	898	58.05
8	E	936	898	58.04
9	E	762	731	64.43
9	E	762	731	64.43
10	E	609	585	71.64
10	E	609	585	71.66
11	E	280	268	0.08
11	E	280	268	0.07
12	E	161	154	0.01
12	E	161	154	0.01

Atom	x (Å)	y (Å)	z (Å)
Si1	0.000	0.000	1.869
C2	0.000	0.000	-0.052
H3	0.000	-1.418	2.304
H4	1.228	0.709	2.304
H5	-1.228	0.709	2.304
Cl6	0.000	1.684	-0.642
Cl7	1.458	-0.842	-0.642
Cl8	-1.458	-0.842	-0.642

	Si1	C2	H3	H4	H5	Cl6	Cl7	Cl8
Si1		1.9210	1.4830	1.4830	1.4830	3.0233	3.0233	3.0233
C2	1.9210		2.7499	2.7499	2.7499	1.7841	1.7841	1.7841
H3	1.4830	2.7499		2.4556	2.4556	4.2778	3.3374	3.3374
H4	1.4830	2.7499	2.4556		2.4556	3.3374	3.3374	4.2778
H5	1.4830	2.7499	2.4556	2.4556		3.3374	4.2778	3.3374
Cl6	3.0233	1.7841	4.2778	3.3374	3.3374		2.9163	2.9163
Cl7	3.0233	1.7841	3.3374	3.3374	4.2778	2.9163		2.9163
Cl8	3.0233	1.7841	3.3374	4.2778	3.3374	2.9163	2.9163

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Si1	C2	Cl6	109.312	Si1	C2	Cl7	109.312
Si1	C2	Cl8	109.312	C2	Si1	H3	107.065
C2	Si1	H4	107.065	C2	Si1	H5	107.065
H3	Si1	H4	111.767	H3	Si1	H5	111.767
H4	Si1	H5	111.767	Cl6	C2	Cl7	109.630
Cl6	C2	Cl8	109.630	Cl7	C2	Cl8	109.630

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

using model chemistry: PBE1PBE/6-311G**

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	0.689
2	C	-0.619
3	H	-0.074
4	H	-0.074
5	H	-0.074
6	Cl	0.051
7	Cl	0.051
8	Cl	0.051

	x	y	z
x	10.376	0.000	0.000
y	0.000	10.377	-0.000
z	0.000	-0.000	9.165

<r²>	273.036
(<r²>)^1/2	16.524

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

using model chemistry: PBE1PBE/6-311G**

States and conformations

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