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	hartrees
Energy at 0K	-1710.134987
Energy at 298.15K	-1710.138319
HF Energy	-1710.134987
Nuclear repulsion energy	438.703462

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2250	2155	43.60
2	A₁	924	885	150.63
3	A₁	874	837	84.03
4	A₁	434	416	7.04
5	A₁	280	268	8.91
6	A₂	187	179	0.00
7	E	2272	2177	68.44
7	E	2272	2177	68.42
8	E	937	897	50.07
8	E	937	897	50.08
9	E	757	725	49.48
9	E	757	725	49.50
10	E	608	582	56.50
10	E	608	582	56.49
11	E	269	258	0.03
11	E	269	258	0.03
12	E	154	147	0.09
12	E	154	147	0.09

Atom	x (Å)	y (Å)	z (Å)
Si1	0.000	0.000	1.866
C2	0.000	0.000	-0.051
H3	0.000	-1.413	2.307
H4	1.224	0.707	2.307
H5	-1.224	0.707	2.307
Cl6	0.000	1.679	-0.642
Cl7	1.454	-0.840	-0.642
Cl8	-1.454	-0.840	-0.642

	Si1	C2	H3	H4	H5	Cl6	Cl7	Cl8
Si1		1.9163	1.4806	1.4806	1.4806	3.0179	3.0179	3.0179
C2	1.9163		2.7490	2.7490	2.7490	1.7803	1.7803	1.7803
H3	1.4806	2.7490		2.4477	2.4477	4.2733	3.3379	3.3379
H4	1.4806	2.7490	2.4477		2.4477	3.3379	3.3379	4.2733
H5	1.4806	2.7490	2.4477	2.4477		3.3379	4.2733	3.3379
Cl6	3.0179	1.7803	4.2733	3.3379	3.3379		2.9085	2.9085
Cl7	3.0179	1.7803	3.3379	3.3379	4.2733	2.9085		2.9085
Cl8	3.0179	1.7803	3.3379	4.2733	3.3379	2.9085	2.9085

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Si1	C2	Cl6	109.397	Si1	C2	Cl7	109.397
Si1	C2	Cl8	109.397	C2	Si1	H3	107.357
C2	Si1	H4	107.357	C2	Si1	H5	107.357
H3	Si1	H4	111.500	H3	Si1	H5	111.500
H4	Si1	H5	111.500	Cl6	C2	Cl7	109.545
Cl6	C2	Cl8	109.545	Cl7	C2	Cl8	109.545

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

using model chemistry: mPW1PW91/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	0.534
3	H	-0.142
4	H	-0.142
5	H	-0.142
6	Cl	-0.277
7	Cl	-0.277
8	Cl	-0.277

<r²>	271.498
(<r²>)^1/2	16.477

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

using model chemistry: mPW1PW91/aug-cc-pVTZ

States and conformations

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