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	hartrees
Energy at 0K	-1709.858971
Energy at 298.15K	-1709.862305
HF Energy	-1709.858971
Nuclear repulsion energy	436.365440

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2250	2166	45.55
2	A₁	925	890	202.57
3	A₁	870	838	66.55
4	A₁	428	412	8.97
5	A₁	282	272	8.67
6	A₂	191	184	0.00
7	E	2269	2185	76.59
7	E	2269	2185	76.59
8	E	939	904	60.68
8	E	939	904	60.68
9	E	743	716	59.11
9	E	743	716	59.10
10	E	606	583	84.28
10	E	606	583	84.29
11	E	277	266	0.14
11	E	277	266	0.14
12	E	160	154	0.00
12	E	160	154	0.00

Atom	x (Å)	y (Å)	z (Å)
Si1	0.000	0.000	1.872
C2	0.000	0.000	-0.050
H3	0.000	-1.415	2.311
H4	1.225	0.708	2.311
H5	-1.225	0.708	2.311
Cl6	0.000	1.691	-0.644
Cl7	1.464	-0.845	-0.644
Cl8	-1.464	-0.845	-0.644

	Si1	C2	H3	H4	H5	Cl6	Cl7	Cl8
Si1		1.9221	1.4817	1.4817	1.4817	3.0312	3.0312	3.0312
C2	1.9221		2.7528	2.7528	2.7528	1.7918	1.7918	1.7918
H3	1.4817	2.7528		2.4510	2.4510	4.2869	3.3468	3.3468
H4	1.4817	2.7528	2.4510		2.4510	3.3468	3.3468	4.2869
H5	1.4817	2.7528	2.4510	2.4510		3.3468	4.2869	3.3468
Cl6	3.0312	1.7918	4.2869	3.3468	3.3468		2.9281	2.9281
Cl7	3.0312	1.7918	3.3468	3.3468	4.2869	2.9281		2.9281
Cl8	3.0312	1.7918	3.3468	4.2869	3.3468	2.9281	2.9281

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Si1	C2	Cl6	109.356	Si1	C2	Cl7	109.356
Si1	C2	Cl8	109.356	C2	Si1	H3	107.242
C2	Si1	H4	107.242	C2	Si1	H5	107.242
H3	Si1	H4	111.605	H3	Si1	H5	111.605
H4	Si1	H5	111.605	Cl6	C2	Cl7	109.586
Cl6	C2	Cl8	109.586	Cl7	C2	Cl8	109.586

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

using model chemistry: B3PW91/6-311G*

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	0.547
2	C	-0.600
3	H	-0.030
4	H	-0.030
5	H	-0.030
6	Cl	0.048
7	Cl	0.048
8	Cl	0.048

	x	y	z
x	10.392	0.000	0.000
y	0.000	10.392	-0.000
z	0.000	-0.000	9.065

<r²>	274.533
(<r²>)^1/2	16.569

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

using model chemistry: B3PW91/6-311G*

States and conformations

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