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	hartrees
Energy at 0K	-1701.215295
Energy at 298.15K	-1701.218407
HF Energy	-1701.215295
Nuclear repulsion energy	430.878867

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2229	2126	40.60
2	A₁	898	856	163.40
3	A₁	841	802	63.87
4	A₁	401	382	8.89
5	A₁	273	260	8.61
6	A₂	208	199	0.00
7	E	2256	2151	70.63
7	E	2256	2151	70.63
8	E	908	865	46.53
8	E	908	865	46.53
9	E	674	643	26.92
9	E	674	643	26.90
10	E	566	539	116.83
10	E	566	539	116.89
11	E	259	247	0.06
11	E	259	247	0.06
12	E	156	148	0.00
12	E	156	148	0.00

Atom	x (Å)	y (Å)	z (Å)
Si1	0.000	0.000	1.879
C2	0.000	0.000	-0.040
H3	0.000	-1.425	2.325
H4	1.234	0.713	2.325
H5	-1.234	0.713	2.325
Cl6	0.000	1.719	-0.648
Cl7	1.489	-0.860	-0.648
Cl8	-1.489	-0.860	-0.648

	Si1	C2	H3	H4	H5	Cl6	Cl7	Cl8
Si1		1.9185	1.4933	1.4933	1.4933	3.0562	3.0562	3.0562
C2	1.9185		2.7610	2.7610	2.7610	1.8237	1.8237	1.8237
H3	1.4933	2.7610		2.4684	2.4684	4.3273	3.3727	3.3727
H4	1.4933	2.7610	2.4684		2.4684	3.3727	3.3727	4.3273
H5	1.4933	2.7610	2.4684	2.4684		3.3727	4.3273	3.3727
Cl6	3.0562	1.8237	4.3273	3.3727	3.3727		2.9778	2.9778
Cl7	3.0562	1.8237	3.3727	3.3727	4.3273	2.9778		2.9778
Cl8	3.0562	1.8237	3.3727	4.3273	3.3727	2.9778	2.9778

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Si1	C2	Cl6	109.481	Si1	C2	Cl7	109.481
Si1	C2	Cl8	109.481	C2	Si1	H3	107.387
C2	Si1	H4	107.387	C2	Si1	H5	107.387
H3	Si1	H4	111.473	H3	Si1	H5	111.473
H4	Si1	H5	111.473	Cl6	C2	Cl7	109.462
Cl6	C2	Cl8	109.462	Cl7	C2	Cl8	109.462

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

using model chemistry: PBEPBE/3-21G*

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	0.412
2	C	-0.615
3	H	-0.002
4	H	-0.002
5	H	-0.002
6	Cl	0.069
7	Cl	0.069
8	Cl	0.069

<r²>	280.168
(<r²>)^1/2	16.738

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

using model chemistry: PBEPBE/3-21G*

States and conformations

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