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	hartrees
Energy at 0K	-1709.445861
Energy at 298.15K	-1709.449200
HF Energy	-1709.445861
Nuclear repulsion energy	439.070894

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2240	2153	42.91
2	A₁	924	888	130.00
3	A₁	874	840	104.67
4	A₁	437	420	7.49
5	A₁	281	270	9.34
6	A₂	187	179	0.00
7	E	2263	2175	70.46
7	E	2263	2175	70.46
8	E	932	896	51.71
8	E	932	896	51.70
9	E	763	733	52.89
9	E	763	733	52.88
10	E	608	584	56.20
10	E	608	584	56.21
11	E	270	259	0.02
11	E	270	259	0.02
12	E	154	148	0.08
12	E	154	148	0.08

Atom	x (Å)	y (Å)	z (Å)
Si1	0.000	0.000	1.864
C2	0.000	0.000	-0.052
H3	0.000	-1.416	2.306
H4	1.226	0.708	2.306
H5	-1.226	0.708	2.306
Cl6	0.000	1.678	-0.641
Cl7	1.453	-0.839	-0.641
Cl8	-1.453	-0.839	-0.641

	Si1	C2	H3	H4	H5	Cl6	Cl7	Cl8
Si1		1.9157	1.4834	1.4834	1.4834	3.0147	3.0147	3.0147
C2	1.9157		2.7507	2.7507	2.7507	1.7781	1.7781	1.7781
H3	1.4834	2.7507		2.4522	2.4522	4.2729	3.3364	3.3364
H4	1.4834	2.7507	2.4522		2.4522	3.3364	3.3364	4.2729
H5	1.4834	2.7507	2.4522	2.4522		3.3364	4.2729	3.3364
Cl6	3.0147	1.7781	4.2729	3.3364	3.3364		2.9059	2.9059
Cl7	3.0147	1.7781	3.3364	3.3364	4.2729	2.9059		2.9059
Cl8	3.0147	1.7781	3.3364	4.2729	3.3364	2.9059	2.9059

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Si1	C2	Cl6	109.346	Si1	C2	Cl7	109.346
Si1	C2	Cl8	109.346	C2	Si1	H3	107.362
C2	Si1	H4	107.362	C2	Si1	H5	107.362
H3	Si1	H4	111.495	H3	Si1	H5	111.495
H4	Si1	H5	111.495	Cl6	C2	Cl7	109.596
Cl6	C2	Cl8	109.596	Cl7	C2	Cl8	109.596

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

using model chemistry: PBE1PBE/cc-pVTZ

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	0.221
2	C	-0.078
3	H	0.005
4	H	0.005
5	H	0.005
6	Cl	-0.053
7	Cl	-0.053
8	Cl	-0.053

<r²>	271.053
(<r²>)^1/2	16.464

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

using model chemistry: PBE1PBE/cc-pVTZ

States and conformations

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