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	hartrees
Energy at 0K	-1710.114651
Energy at 298.15K	-1710.117809
HF Energy	-1710.114651
Nuclear repulsion energy	435.122871

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2189	2161	48.74
2	A₁	903	892	204.86
3	A₁	841	830	32.60
4	A₁	406	400	8.47
5	A₁	275	272	8.88
6	A₂	184	181	0.00
7	E	2211	2182	73.65
7	E	2211	2182	73.66
8	E	926	914	47.18
8	E	926	914	47.18
9	E	686	677	32.48
9	E	686	677	32.52
10	E	575	567	93.75
10	E	575	567	93.81
11	E	263	259	0.47
11	E	263	259	0.47
12	E	156	154	0.04
12	E	156	154	0.04

Atom	x (Å)	y (Å)	z (Å)
Si1	0.000	0.000	1.876
C2	0.000	0.000	-0.048
H3	0.000	-1.416	2.316
H4	1.226	0.708	2.316
H5	-1.226	0.708	2.316
Cl6	0.000	1.696	-0.645
Cl7	1.469	-0.848	-0.645
Cl8	-1.469	-0.848	-0.645

	Si1	C2	H3	H4	H5	Cl6	Cl7	Cl8
Si1		1.9242	1.4824	1.4824	1.4824	3.0386	3.0386	3.0386
C2	1.9242		2.7555	2.7555	2.7555	1.7983	1.7983	1.7983
H3	1.4824	2.7555		2.4519	2.4519	4.2955	3.3537	3.3537
H4	1.4824	2.7555	2.4519		2.4519	3.3537	3.3537	4.2955
H5	1.4824	2.7555	2.4519	2.4519		3.3537	4.2955	3.3537
Cl6	3.0386	1.7983	4.2955	3.3537	3.3537		2.9381	2.9381
Cl7	3.0386	1.7983	3.3537	3.3537	4.2955	2.9381		2.9381
Cl8	3.0386	1.7983	3.3537	4.2955	3.3537	2.9381	2.9381

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Si1	C2	Cl6	109.124	Si1	C2	Cl7	109.124
Si1	C2	Cl8	109.124	C2	Si1	H3	107.197
C2	Si1	H4	107.197	C2	Si1	H5	107.197
H3	Si1	H4	111.647	H3	Si1	H5	111.647
H4	Si1	H5	111.646	Cl6	C2	Cl7	109.817
Cl6	C2	Cl8	109.817	Cl7	C2	Cl8	109.817

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

using model chemistry: B97D3/6-311+G(3df,2p)

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	0.600
2	C	0.458
3	H	-0.062
4	H	-0.062
5	H	-0.062
6	Cl	-0.291
7	Cl	-0.291
8	Cl	-0.291

	x	y	z
x	12.853	0.000	0.000
y	0.000	12.854	-0.000
z	0.000	-0.000	12.454

<r²>	275.465
(<r²>)^1/2	16.597

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

using model chemistry: B97D3/6-311+G(3df,2p)

States and conformations

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