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	hartrees
Energy at 0K	-1709.995605
Energy at 298.15K	-1709.999021
HF Energy	-1709.995605
Nuclear repulsion energy	435.885736

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2239	2138	44.04
2	A₁	936	894	175.13
3	A₁	887	847	84.81
4	A₁	433	414	8.73
5	A₁	283	270	10.66
6	A₂	192	183	0.00
7	E	2255	2154	78.94
7	E	2255	2154	78.96
8	E	950	908	58.29
8	E	950	908	58.23
9	E	772	738	52.13
9	E	772	738	52.20
10	E	620	592	68.69
10	E	620	592	68.73
11	E	274	261	0.00
11	E	274	261	0.00
12	E	164	156	0.04
12	E	164	156	0.04

Atom	x (Å)	y (Å)	z (Å)
Si1	0.000	0.000	1.872
C2	0.000	0.000	-0.054
H3	0.000	-1.417	2.306
H4	1.227	0.708	2.306
H5	-1.227	0.708	2.306
Cl6	0.000	1.694	-0.643
Cl7	1.467	-0.847	-0.643
Cl8	-1.467	-0.847	-0.643

	Si1	C2	H3	H4	H5	Cl6	Cl7	Cl8
Si1		1.9254	1.4819	1.4819	1.4819	3.0323	3.0323	3.0323
C2	1.9254		2.7526	2.7526	2.7526	1.7936	1.7936	1.7936
H3	1.4819	2.7526		2.4537	2.4537	4.2868	3.3433	3.3433
H4	1.4819	2.7526	2.4537		2.4537	3.3433	3.3433	4.2868
H5	1.4819	2.7526	2.4537	2.4537		3.3433	4.2868	3.3433
Cl6	3.0323	1.7936	4.2868	3.3433	3.3433		2.9340	2.9340
Cl7	3.0323	1.7936	3.3433	3.3433	4.2868	2.9340		2.9340
Cl8	3.0323	1.7936	3.3433	4.2868	3.3433	2.9340	2.9340

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Si1	C2	Cl6	109.191	Si1	C2	Cl7	109.191
Si1	C2	Cl8	109.191	C2	Si1	H3	107.059
C2	Si1	H4	107.059	C2	Si1	H5	107.059
H3	Si1	H4	111.772	H3	Si1	H5	111.772
H4	Si1	H5	111.772	Cl6	C2	Cl7	109.750
Cl6	C2	Cl8	109.750	Cl7	C2	Cl8	109.750

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

using model chemistry: wB97X-D/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	0.467
2	C	-0.202
3	H	-0.066
4	H	-0.066
5	H	-0.066
6	Cl	-0.022
7	Cl	-0.022
8	Cl	-0.022

	x	y	z
x	10.440	0.000	0.000
y	0.000	10.447	-0.002
z	0.000	-0.002	9.321

<r²>	274.627
(<r²>)^1/2	16.572

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

using model chemistry: wB97X-D/TZVP

States and conformations

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