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	hartrees
Energy at 0K	-1709.420418
Energy at 298.15K	-1709.423792
HF Energy	-1709.174145
Nuclear repulsion energy	433.989625

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2263	2177	42.90
2	A₁	927	891	201.25
3	A₁	874	841	46.78
4	A₁	424	407	8.10
5	A₁	281	271	8.94
6	A₂	199	192	0.00
7	E	2285	2198	69.28
7	E	2285	2198	69.28
8	E	950	914	52.20
8	E	950	914	52.18
9	E	746	717	43.62
9	E	746	717	43.59
10	E	607	584	66.19
10	E	607	584	66.22
11	E	270	260	0.08
11	E	270	260	0.08
12	E	163	157	0.07
12	E	163	157	0.07

Atom	x (Å)	y (Å)	z (Å)
Si1	0.000	0.000	1.889
C2	0.000	0.000	-0.043
H3	0.000	-1.419	2.323
H4	1.229	0.709	2.323
H5	-1.229	0.709	2.323
Cl6	0.000	1.697	-0.650
Cl7	1.470	-0.849	-0.650
Cl8	-1.470	-0.849	-0.650

	Si1	C2	H3	H4	H5	Cl6	Cl7	Cl8
Si1		1.9319	1.4837	1.4837	1.4837	3.0544	3.0544	3.0544
C2	1.9319		2.7583	2.7583	2.7583	1.8027	1.8027	1.8027
H3	1.4837	2.7583		2.4578	2.4578	4.3069	3.3651	3.3651
H4	1.4837	2.7583	2.4578		2.4578	3.3651	3.3651	4.3069
H5	1.4837	2.7583	2.4578	2.4578		3.3651	4.3069	3.3651
Cl6	3.0544	1.8027	4.3069	3.3651	3.3651		2.9397	2.9397
Cl7	3.0544	1.8027	3.3651	3.3651	4.3069	2.9397		2.9397
Cl8	3.0544	1.8027	3.3651	4.3069	3.3651	2.9397	2.9397

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Si1	C2	Cl6	109.698	Si1	C2	Cl7	109.698
Si1	C2	Cl8	109.698	C2	Si1	H3	106.986
C2	Si1	H4	106.986	C2	Si1	H5	106.986
H3	Si1	H4	111.838	H3	Si1	H5	111.838
H4	Si1	H5	111.838	Cl6	C2	Cl7	109.243
Cl6	C2	Cl8	109.243	Cl7	C2	Cl8	109.243

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

using model chemistry: B2PLYP=FULL/aug-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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All results from a given calculation for SiH3CCl3 ((trichloromethyl)silane)

using model chemistry: B2PLYP=FULL/aug-cc-pVDZ

States and conformations

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