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	hartrees
Energy at 0K	-1705.603800
Energy at 298.15K	-1705.606965
HF Energy	-1705.603800
Nuclear repulsion energy	441.747162

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2177	2157	34.04
2	A₁	894	886	32.72
3	A₁	828	820	148.18
4	A₁	435	431	5.64
5	A₁	274	272	7.26
6	A₂	183	181	0.00
7	E	2207	2186	48.61
7	E	2207	2186	48.63
8	E	879	871	41.92
8	E	879	871	41.93
9	E	729	722	56.92
9	E	729	722	56.91
10	E	576	571	46.70
10	E	576	571	46.71
11	E	261	258	0.03
11	E	261	258	0.03
12	E	146	144	0.08
12	E	146	144	0.08

Atom	x (Å)	y (Å)	z (Å)
Si1	0.000	0.000	1.842
C2	0.000	0.000	-0.054
H3	0.000	-1.425	2.279
H4	1.234	0.712	2.279
H5	-1.234	0.712	2.279
Cl6	0.000	1.671	-0.633
Cl7	1.447	-0.836	-0.633
Cl8	-1.447	-0.836	-0.633

	Si1	C2	H3	H4	H5	Cl6	Cl7	Cl8
Si1		1.8960	1.4906	1.4906	1.4906	2.9862	2.9862	2.9862
C2	1.8960		2.7342	2.7342	2.7342	1.7686	1.7686	1.7686
H3	1.4906	2.7342		2.4680	2.4680	4.2506	3.3051	3.3051
H4	1.4906	2.7342	2.4680		2.4680	3.3051	3.3051	4.2506
H5	1.4906	2.7342	2.4680	2.4680		3.3051	4.2506	3.3051
Cl6	2.9862	1.7686	4.2506	3.3051	3.3051		2.8946	2.8946
Cl7	2.9862	1.7686	3.3051	3.3051	4.2506	2.8946		2.8946
Cl8	2.9862	1.7686	3.3051	4.2506	3.3051	2.8946	2.8946

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Si1	C2	Cl6	109.102	Si1	C2	Cl7	109.102
Si1	C2	Cl8	109.102	C2	Si1	H3	107.071
C2	Si1	H4	107.071	C2	Si1	H5	107.071
H3	Si1	H4	111.761	H3	Si1	H5	111.761
H4	Si1	H5	111.761	Cl6	C2	Cl7	109.838
Cl6	C2	Cl8	109.838	Cl7	C2	Cl8	109.838

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

using model chemistry: LSDA/aug-cc-pVTZ

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	0.721
2	C	0.459
3	H	-0.158
4	H	-0.158
5	H	-0.158
6	Cl	-0.235
7	Cl	-0.235
8	Cl	-0.235

	x	y	z
x	12.967	0.000	0.000
y	0.000	12.967	-0.001
z	0.000	-0.001	12.792

<r²>	268.156
(<r²>)^1/2	16.375

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

using model chemistry: LSDA/aug-cc-pVTZ

States and conformations

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