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	hartrees
Energy at 0K	-1709.150487
Energy at 298.15K	-1709.153619
HF Energy	-1709.150487
Nuclear repulsion energy	432.656832

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2198	2173	50.17
2	A₁	886	876	149.76
3	A₁	836	826	70.66
4	A₁	411	406	8.15
5	A₁	274	271	9.69
6	A₂	187	185	0.00
7	E	2224	2198	77.77
7	E	2224	2198	77.78
8	E	907	896	47.43
8	E	907	896	47.42
9	E	699	691	58.69
9	E	699	691	58.69
10	E	577	570	84.27
10	E	576	570	84.35
11	E	263	260	0.15
11	E	263	260	0.14
12	E	152	150	0.03
12	E	152	150	0.03

Atom	x (Å)	y (Å)	z (Å)
Si1	0.000	0.000	1.885
C2	0.000	0.000	-0.051
H3	0.000	-1.425	2.328
H4	1.234	0.713	2.328
H5	-1.234	0.713	2.328
Cl6	0.000	1.707	-0.648
Cl7	1.478	-0.853	-0.648
Cl8	-1.478	-0.853	-0.648

	Si1	C2	H3	H4	H5	Cl6	Cl7	Cl8
Si1		1.9355	1.4927	1.4927	1.4927	3.0544	3.0544	3.0544
C2	1.9355		2.7734	2.7734	2.7734	1.8082	1.8082	1.8082
H3	1.4927	2.7734		2.4685	2.4685	4.3208	3.3724	3.3724
H4	1.4927	2.7734	2.4685		2.4685	3.3724	3.3724	4.3208
H5	1.4927	2.7734	2.4685	2.4685		3.3724	4.3208	3.3724
Cl6	3.0544	1.8082	4.3208	3.3724	3.3724		2.9558	2.9558
Cl7	3.0544	1.8082	3.3724	3.3724	4.3208	2.9558		2.9558
Cl8	3.0544	1.8082	3.3724	4.3208	3.3724	2.9558	2.9558

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Si1	C2	Cl6	109.302	Si1	C2	Cl7	109.302
Si1	C2	Cl8	109.302	C2	Si1	H3	107.293
C2	Si1	H4	107.293	C2	Si1	H5	107.293
H3	Si1	H4	111.559	H3	Si1	H5	111.559
H4	Si1	H5	111.559	Cl6	C2	Cl7	109.640
Cl6	C2	Cl8	109.640	Cl7	C2	Cl8	109.640

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

using model chemistry: PBEPBE/6-31+G**

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	0.369
2	C	-0.562
3	H	-0.037
4	H	-0.037
5	H	-0.037
6	Cl	0.101
7	Cl	0.101
8	Cl	0.101

	x	y	z
x	11.834	0.000	0.000
y	0.000	11.835	-0.000
z	0.000	-0.000	11.071

<r²>	278.518
(<r²>)^1/2	16.689

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

using model chemistry: PBEPBE/6-31+G**

States and conformations

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