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	hartrees
Energy at 0K	-1710.102329
Energy at 298.15K	-1710.105631
HF Energy	-1710.102329
Nuclear repulsion energy	440.142476

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2260	2165	47.28
2	A₁	932	892	134.18
3	A₁	880	843	109.18
4	A₁	437	419	7.55
5	A₁	277	265	9.54
6	A₂	194	186	0.00
7	E	2280	2184	74.65
7	E	2280	2184	74.71
8	E	939	899	52.58
8	E	939	899	52.59
9	E	767	735	55.88
9	E	767	735	55.88
10	E	610	584	54.92
10	E	610	584	54.92
11	E	266	255	0.00
11	E	266	254	0.00
12	E	147	140	0.05
12	E	146	140	0.05

Atom	x (Å)	y (Å)	z (Å)
Si1	0.000	0.000	1.856
C2	0.000	0.000	-0.051
H3	0.000	-1.409	2.297
H4	1.220	0.705	2.297
H5	-1.220	0.705	2.297
Cl6	0.000	1.675	-0.639
Cl7	1.451	-0.838	-0.639
Cl8	-1.451	-0.838	-0.639

	Si1	C2	H3	H4	H5	Cl6	Cl7	Cl8
Si1		1.9067	1.4764	1.4764	1.4764	3.0051	3.0051	3.0051
C2	1.9067		2.7379	2.7379	2.7379	1.7754	1.7754	1.7754
H3	1.4764	2.7379		2.4406	2.4406	4.2580	3.3241	3.3241
H4	1.4764	2.7379	2.4406		2.4406	3.3241	3.3241	4.2580
H5	1.4764	2.7379	2.4406	2.4406		3.3241	4.2580	3.3241
Cl6	3.0051	1.7754	4.2580	3.3241	3.3241		2.9013	2.9013
Cl7	3.0051	1.7754	3.3241	3.3241	4.2580	2.9013		2.9013
Cl8	3.0051	1.7754	3.3241	4.2580	3.3241	2.9013	2.9013

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Si1	C2	Cl6	109.349	Si1	C2	Cl7	109.349
Si1	C2	Cl8	109.349	C2	Si1	H3	107.369
C2	Si1	H4	107.369	C2	Si1	H5	107.369
H3	Si1	H4	111.489	H3	Si1	H5	111.489
H4	Si1	H5	111.489	Cl6	C2	Cl7	109.594
Cl6	C2	Cl8	109.594	Cl7	C2	Cl8	109.594

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

using model chemistry: B1B95/6-31G(2df,p)

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	0.044
2	C	0.044
3	H	0.037
4	H	0.037
5	H	0.037
6	Cl	-0.066
7	Cl	-0.066
8	Cl	-0.066

<r²>	269.473
(<r²>)^1/2	16.416

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

using model chemistry: B1B95/6-31G(2df,p)

States and conformations

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