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	hartrees
Energy at 0K	-1690.319908
Energy at 298.15K	-1690.322867
HF Energy	-1690.319908
Nuclear repulsion energy	423.812605

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2593	2369	1.15
2	A₁	997	911	116.00
3	A₁	932	852	121.72
4	A₁	435	398	6.10
5	A₁	275	251	12.53
6	A₂	146	133	0.00
7	E	2660	2431	4.09
7	E	2660	2431	4.09
8	E	1043	953	55.59
8	E	1043	953	55.58
9	E	835	763	60.75
9	E	835	763	60.75
10	E	656	600	73.45
10	E	656	600	73.45
11	E	254	232	0.47
11	E	254	232	0.47
12	E	157	143	0.14
12	E	157	143	0.14

Atom	x (Å)	y (Å)	z (Å)
Si1	0.000	0.000	1.915
C2	0.000	0.000	-0.013
H3	0.000	-1.391	2.339
H4	1.205	0.695	2.339
H5	-1.205	0.695	2.339
Cl6	0.000	1.751	-0.662
Cl7	1.517	-0.876	-0.662
Cl8	-1.517	-0.876	-0.662

	Si1	C2	H3	H4	H5	Cl6	Cl7	Cl8
Si1		1.9276	1.4541	1.4541	1.4541	3.1154	3.1154	3.1154
C2	1.9276		2.7323	2.7323	2.7323	1.8676	1.8676	1.8676
H3	1.4541	2.7323		2.4090	2.4090	4.3449	3.4017	3.4017
H4	1.4541	2.7323	2.4090		2.4090	3.4017	3.4017	4.3449
H5	1.4541	2.7323	2.4090	2.4090		3.4017	4.3449	3.4017
Cl6	3.1154	1.8676	4.3449	3.4017	3.4017		3.0331	3.0331
Cl7	3.1154	1.8676	3.4017	3.4017	4.3449	3.0331		3.0331
Cl8	3.1154	1.8676	3.4017	4.3449	3.4017	3.0331	3.0331

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Si1	C2	Cl6	110.339	Si1	C2	Cl7	110.339
Si1	C2	Cl8	110.339	C2	Si1	H3	106.964
C2	Si1	H4	106.964	C2	Si1	H5	106.964
H3	Si1	H4	111.858	H3	Si1	H5	111.858
H4	Si1	H5	111.858	Cl6	C2	Cl7	108.590
Cl6	C2	Cl8	108.590	Cl7	C2	Cl8	108.590

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

using model chemistry: PBEPBE/STO-3G

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	0.576
2	C	-0.049
3	H	-0.079
4	H	-0.079
5	H	-0.079
6	Cl	-0.097
7	Cl	-0.097
8	Cl	-0.097

<r²>	286.045
(<r²>)^1/2	16.913

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

using model chemistry: PBEPBE/STO-3G

States and conformations

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