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	hartrees
Energy at 0K	-1709.892680
Energy at 298.15K	-1709.896125
HF Energy	-1709.892680
Nuclear repulsion energy	436.354158

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2255	2148	53.80
2	A₁	937	892	186.04
3	A₁	889	847	71.18
4	A₁	437	416	7.96
5	A₁	287	273	10.58
6	A₁	192	183	0.00
7	E	2270	2163	92.62
7	E	2270	2163	92.62
8	E	956	911	60.01
8	E	956	911	59.91
9	E	778	741	54.03
9	E	778	741	54.06
10	E	621	591	65.52
10	E	621	591	65.56
11	E	277	264	0.00
11	E	277	264	0.00
12	E	166	158	0.07
12	E	166	158	0.07

Atom	x (Å)	y (Å)	z (Å)
Si1	0.000	0.000	1.873
C2	0.000	0.000	-0.054
H3	0.000	-1.413	2.306
H4	1.224	0.707	2.306
H5	-1.224	0.707	2.306
Cl6	0.000	1.691	-0.643
Cl7	1.465	-0.846	-0.643
Cl8	-1.465	-0.846	-0.643

	Si1	C2	H3	H4	H5	Cl6	Cl7	Cl8
Si1		1.9267	1.4783	1.4783	1.4783	3.0319	3.0319	3.0319
C2	1.9267		2.7509	2.7509	2.7509	1.7911	1.7911	1.7911
H3	1.4783	2.7509		2.4479	2.4479	4.2824	3.3420	3.3420
H4	1.4783	2.7509	2.4479		2.4479	3.3420	3.3420	4.2824
H5	1.4783	2.7509	2.4479	2.4479		3.3420	4.2824	3.3420
Cl6	3.0319	1.7911	4.2824	3.3420	3.3420		2.9293	2.9293
Cl7	3.0319	1.7911	3.3420	3.3420	4.2824	2.9293		2.9293
Cl8	3.0319	1.7911	3.3420	4.2824	3.3420	2.9293	2.9293

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Si1	C2	Cl6	109.221	Si1	C2	Cl7	109.221
Si1	C2	Cl8	109.221	C2	Si1	H3	107.051
C2	Si1	H4	107.051	C2	Si1	H5	107.051
H3	Si1	H4	111.779	H3	Si1	H5	111.779
H4	Si1	H5	111.779	Cl6	C2	Cl7	109.720
Cl6	C2	Cl8	109.720	Cl7	C2	Cl8	109.720

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

using model chemistry: wB97X-D/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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Number	Element	Mulliken
1	Si	0.524
2	C	-0.575
3	H	-0.073
4	H	-0.073
5	H	-0.073
6	Cl	0.090
7	Cl	0.090
8	Cl	0.090

	x	y	z
x	10.955	0.000	0.000
y	0.000	10.961	-0.001
z	0.000	-0.001	9.993

<r²>	274.297
(<r²>)^1/2	16.562

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

using model chemistry: wB97X-D/cc-pVDZ

States and conformations

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