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	hartrees
Energy at 0K	-1710.069900
Energy at 298.15K	-1710.073271
HF Energy	-1710.069900
Nuclear repulsion energy	436.499532

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2238	2145	42.39
2	A₁	917	879	128.02
3	A₁	871	835	96.68
4	A₁	435	417	7.49
5	A₁	281	270	9.02
6	A₂	197	189	0.00
7	E	2262	2168	65.96
7	E	2262	2168	66.00
8	E	934	895	48.44
8	E	934	895	48.46
9	E	762	730	54.67
9	E	762	730	54.70
10	E	606	581	55.08
10	E	606	581	55.06
11	E	272	261	0.04
11	E	272	261	0.04
12	E	158	151	0.09
12	E	158	151	0.09

Atom	x (Å)	y (Å)	z (Å)
Si1	0.000	0.000	1.880
C2	0.000	0.000	-0.048
H3	0.000	-1.423	2.319
H4	1.233	0.712	2.319
H5	-1.233	0.712	2.319
Cl6	0.000	1.685	-0.647
Cl7	1.460	-0.843	-0.647
Cl8	-1.460	-0.843	-0.647

	Si1	C2	H3	H4	H5	Cl6	Cl7	Cl8
Si1		1.9286	1.4893	1.4893	1.4893	3.0377	3.0377	3.0377
C2	1.9286		2.7620	2.7620	2.7620	1.7886	1.7886	1.7886
H3	1.4893	2.7620		2.4653	2.4653	4.2965	3.3560	3.3560
H4	1.4893	2.7620	2.4653		2.4653	3.3560	3.3560	4.2965
H5	1.4893	2.7620	2.4653	2.4653		3.3560	4.2965	3.3560
Cl6	3.0377	1.7886	4.2965	3.3560	3.3560		2.9193	2.9193
Cl7	3.0377	1.7886	3.3560	3.3560	4.2965	2.9193		2.9193
Cl8	3.0377	1.7886	3.3560	4.2965	3.3560	2.9193	2.9193

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Si1	C2	Cl6	109.553	Si1	C2	Cl7	109.553
Si1	C2	Cl8	109.553	C2	Si1	H3	107.119
C2	Si1	H4	107.119	C2	Si1	H5	107.119
H3	Si1	H4	111.717	H3	Si1	H5	111.717
H4	Si1	H5	111.717	Cl6	C2	Cl7	109.389
Cl6	C2	Cl8	109.389	Cl7	C2	Cl8	109.389

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

using model chemistry: mPW1PW91/aug-cc-pVDZ

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	-0.168
2	C	-0.809
3	H	0.247
4	H	0.247
5	H	0.247
6	Cl	0.079
7	Cl	0.079
8	Cl	0.079

<r²>	274.005
(<r²>)^1/2	16.553

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

using model chemistry: mPW1PW91/aug-cc-pVDZ

States and conformations

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