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	hartrees
Energy at 0K	-1709.302669
Energy at 298.15K	-1709.305773
HF Energy	-1709.302669
Nuclear repulsion energy	434.660526

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2177	2162	42.39
2	A₁	885	879	133.49
3	A₁	835	829	82.08
4	A₁	412	409	8.11
5	A₁	270	268	8.79
6	A₂	179	178	0.00
7	E	2203	2187	66.49
7	E	2203	2187	66.51
8	E	899	893	45.01
8	E	899	893	45.01
9	E	696	691	50.20
9	E	696	691	50.19
10	E	575	571	72.96
10	E	575	571	72.96
11	E	257	255	0.16
11	E	257	255	0.16
12	E	147	146	0.04
12	E	147	146	0.04

Atom	x (Å)	y (Å)	z (Å)
Si1	0.000	0.000	1.877
C2	0.000	0.000	-0.049
H3	0.000	-1.424	2.326
H4	1.233	0.712	2.326
H5	-1.233	0.712	2.326
Cl6	0.000	1.697	-0.646
Cl7	1.470	-0.849	-0.646
Cl8	-1.470	-0.849	-0.646

	Si1	C2	H3	H4	H5	Cl6	Cl7	Cl8
Si1		1.9262	1.4926	1.4926	1.4926	3.0411	3.0411	3.0411
C2	1.9262		2.7686	2.7686	2.7686	1.7993	1.7993	1.7993
H3	1.4926	2.7686		2.4658	2.4658	4.3095	3.3650	3.3650
H4	1.4926	2.7686	2.4658		2.4658	3.3650	3.3650	4.3095
H5	1.4926	2.7686	2.4658	2.4658		3.3650	4.3095	3.3650
Cl6	3.0411	1.7993	4.3095	3.3650	3.3650		2.9397	2.9397
Cl7	3.0411	1.7993	3.3650	3.3650	4.3095	2.9397		2.9397
Cl8	3.0411	1.7993	3.3650	4.3095	3.3650	2.9397	2.9397

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Si1	C2	Cl6	109.387	Si1	C2	Cl7	109.387
Si1	C2	Cl8	109.387	C2	Si1	H3	107.483
C2	Si1	H4	107.483	C2	Si1	H5	107.483
H3	Si1	H4	111.384	H3	Si1	H5	111.384
H4	Si1	H5	111.384	Cl6	C2	Cl7	109.555
Cl6	C2	Cl8	109.555	Cl7	C2	Cl8	109.555

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

using model chemistry: PBEPBEultrafine/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	0.231
2	C	-0.094
3	H	-0.001
4	H	-0.001
5	H	-0.001
6	Cl	-0.044
7	Cl	-0.044
8	Cl	-0.044

<r²>	275.897
(<r²>)^1/2	16.610

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

using model chemistry: PBEPBEultrafine/cc-pVTZ

States and conformations

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