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	hartrees
Energy at 0K	-1709.226437
Energy at 298.15K	-1709.229571
HF Energy	-1709.226437
Nuclear repulsion energy	432.085112

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2161	2149	42.13
2	A₁	879	874	103.84
3	A₁	832	828	104.55
4	A₁	411	409	9.24
5	A₁	273	271	9.61
6	A₂	189	188	0.00
7	E	2189	2177	68.05
7	E	2189	2177	68.05
8	E	895	890	45.39
8	E	895	890	45.39
9	E	702	698	64.04
9	E	702	698	64.04
10	E	574	570	73.34
10	E	574	570	73.37
11	E	260	259	0.18
11	E	260	259	0.18
12	E	152	151	0.03
12	E	152	151	0.03

Atom	x (Å)	y (Å)	z (Å)
Si1	0.000	0.000	1.890
C2	0.000	0.000	-0.050
H3	0.000	-1.435	2.341
H4	1.242	0.717	2.341
H5	-1.242	0.717	2.341
Cl6	0.000	1.706	-0.651
Cl7	1.478	-0.853	-0.651
Cl8	-1.478	-0.853	-0.651

	Si1	C2	H3	H4	H5	Cl6	Cl7	Cl8
Si1		1.9402	1.5038	1.5038	1.5038	3.0610	3.0610	3.0610
C2	1.9402		2.7884	2.7884	2.7884	1.8091	1.8091	1.8091
H3	1.5038	2.7884		2.4847	2.4847	4.3380	3.3874	3.3874
H4	1.5038	2.7884	2.4847		2.4848	3.3874	3.3874	4.3380
H5	1.5038	2.7884	2.4847	2.4848		3.3874	4.3380	3.3874
Cl6	3.0610	1.8091	4.3380	3.3874	3.3874		2.9554	2.9554
Cl7	3.0610	1.8091	3.3874	3.3874	4.3380	2.9554		2.9554
Cl8	3.0610	1.8091	3.3874	4.3380	3.3874	2.9554	2.9554

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Si1	C2	Cl6	109.404	Si1	C2	Cl7	109.404
Si1	C2	Cl8	109.404	C2	Si1	H3	107.448
C2	Si1	H4	107.448	C2	Si1	H5	107.448
H3	Si1	H4	111.417	H3	Si1	H5	111.417
H4	Si1	H5	111.417	Cl6	C2	Cl7	109.539
Cl6	C2	Cl8	109.539	Cl7	C2	Cl8	109.539

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

using model chemistry: PBEPBE/cc-pVDZ

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	0.308
2	C	-0.383
3	H	-0.002
4	H	-0.002
5	H	-0.002
6	Cl	0.027
7	Cl	0.027
8	Cl	0.027

<r²>	278.516
(<r²>)^1/2	16.689

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

using model chemistry: PBEPBE/cc-pVDZ

States and conformations

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