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	hartrees
Energy at 0K	-1710.238450
Energy at 298.15K	-1710.241753
HF Energy	-1710.238450
Nuclear repulsion energy	439.880004

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2259	2162	45.91
2	A₁	927	887	138.34
3	A₁	877	839	107.01
4	A₁	435	416	7.76
5	A₁	276	265	9.47
6	A₂	192	183	0.00
7	E	2280	2183	75.19
7	E	2280	2183	75.18
8	E	937	896	53.58
8	E	937	896	53.57
9	E	758	726	50.80
9	E	758	726	50.76
10	E	607	581	59.66
10	E	607	581	59.66
11	E	265	253	0.00
11	E	265	253	0.00
12	E	147	141	0.05
12	E	147	140	0.05

Atom	x (Å)	y (Å)	z (Å)
Si1	0.000	0.000	1.858
C2	0.000	0.000	-0.051
H3	0.000	-1.410	2.298
H4	1.221	0.705	2.298
H5	-1.221	0.705	2.298
Cl6	0.000	1.676	-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		1.9095	1.4769	1.4769	1.4769	3.0078	3.0078	3.0078
C2	1.9095		2.7396	2.7396	2.7396	1.7760	1.7760	1.7760
H3	1.4769	2.7396		2.4423	2.4423	4.2601	3.3257	3.3257
H4	1.4769	2.7396	2.4423		2.4423	3.3257	3.3257	4.2601
H5	1.4769	2.7396	2.4423	2.4423		3.3257	4.2601	3.3257
Cl6	3.0078	1.7760	4.2601	3.3257	3.3257		2.9025	2.9025
Cl7	3.0078	1.7760	3.3257	3.3257	4.2601	2.9025		2.9025
Cl8	3.0078	1.7760	3.3257	4.2601	3.3257	2.9025	2.9025

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Si1	C2	Cl6	109.342	Si1	C2	Cl7	109.342
Si1	C2	Cl8	109.342	C2	Si1	H3	107.307
C2	Si1	H4	107.307	C2	Si1	H5	107.307
H3	Si1	H4	111.546	H3	Si1	H5	111.546
H4	Si1	H5	111.546	Cl6	C2	Cl7	109.600
Cl6	C2	Cl8	109.600	Cl7	C2	Cl8	109.600

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

using model chemistry: B1B95/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	0.167
2	C	-0.094
3	H	0.020
4	H	0.020
5	H	0.020
6	Cl	-0.044
7	Cl	-0.044
8	Cl	-0.044

	x	y	z
x	11.108	0.000	0.000
y	0.000	11.107	-0.000
z	0.000	-0.000	10.547

<r²>	270.043
(<r²>)^1/2	16.433

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

using model chemistry: B1B95/cc-pVTZ

States and conformations

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