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	hartrees
Energy at 0K	-1709.396470
Energy at 298.15K	-1709.399847
HF Energy	-1709.396470
Nuclear repulsion energy	437.883515

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2255	2161	44.15
2	A₁	927	888	169.64
3	A₁	877	840	96.18
4	A₁	437	419	8.54
5	A₁	285	273	8.61
6	A₂	192	184	0.00
7	E	2274	2179	74.16
7	E	2274	2179	74.16
8	E	936	897	61.72
8	E	936	897	61.72
9	E	762	731	62.94
9	E	762	731	62.94
10	E	611	586	73.80
10	E	611	586	73.81
11	E	280	268	0.07
11	E	280	268	0.07
12	E	160	154	0.00
12	E	160	154	0.00

Atom	x (Å)	y (Å)	z (Å)
Si1	0.000	0.000	1.867
C2	0.000	0.000	-0.053
H3	0.000	-1.417	2.303
H4	1.227	0.708	2.303
H5	-1.227	0.708	2.303
Cl6	0.000	1.684	-0.642
Cl7	1.458	-0.842	-0.642
Cl8	-1.458	-0.842	-0.642

	Si1	C2	H3	H4	H5	Cl6	Cl7	Cl8
Si1		1.9193	1.4825	1.4825	1.4825	3.0213	3.0213	3.0213
C2	1.9193		2.7489	2.7489	2.7489	1.7840	1.7840	1.7840
H3	1.4825	2.7489		2.4539	2.4539	4.2763	3.3361	3.3361
H4	1.4825	2.7489	2.4539		2.4539	3.3361	3.3361	4.2763
H5	1.4825	2.7489	2.4539	2.4539		3.3361	4.2763	3.3361
Cl6	3.0213	1.7840	4.2763	3.3361	3.3361		2.9166	2.9166
Cl7	3.0213	1.7840	3.3361	3.3361	4.2763	2.9166		2.9166
Cl8	3.0213	1.7840	3.3361	4.2763	3.3361	2.9166	2.9166

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Si1	C2	Cl6	109.287	Si1	C2	Cl7	109.287
Si1	C2	Cl8	109.287	C2	Si1	H3	107.121
C2	Si1	H4	107.121	C2	Si1	H5	107.121
H3	Si1	H4	111.715	H3	Si1	H5	111.715
H4	Si1	H5	111.715	Cl6	C2	Cl7	109.655
Cl6	C2	Cl8	109.655	Cl7	C2	Cl8	109.655

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

using model chemistry: PBE1PBE/6-311G*

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	0.536
2	C	-0.608
3	H	-0.027
4	H	-0.027
5	H	-0.027
6	Cl	0.051
7	Cl	0.051
8	Cl	0.051

	x	y	z
x	10.296	0.000	0.000
y	0.000	10.297	-0.000
z	0.000	-0.000	9.006

<r²>	272.940
(<r²>)^1/2	16.521

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

using model chemistry: PBE1PBE/6-311G*

States and conformations

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