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	hartrees
Energy at 0K	-1709.372710
Energy at 298.15K	-1709.376070
HF Energy	-1709.372710
Nuclear repulsion energy	436.550821

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2231	2145	42.37
2	A₁	917	882	99.75
3	A₁	871	837	130.33
4	A₁	436	419	8.66
5	A₁	283	272	10.19
6	A₂	194	187	0.00
7	E	2255	2168	71.03
7	E	2255	2168	71.03
8	E	927	891	53.55
8	E	927	891	53.55
9	E	766	736	64.37
9	E	766	736	64.37
10	E	604	581	58.49
10	E	604	581	58.50
11	E	273	263	0.02
11	E	273	263	0.02
12	E	159	153	0.05
12	E	159	153	0.05

Atom	x (Å)	y (Å)	z (Å)
Si1	0.000	0.000	1.878
C2	0.000	0.000	-0.052
H3	0.000	-1.426	2.321
H4	1.235	0.713	2.321
H5	-1.235	0.713	2.321
Cl6	0.000	1.686	-0.646
Cl7	1.460	-0.843	-0.646
Cl8	-1.460	-0.843	-0.646

	Si1	C2	H3	H4	H5	Cl6	Cl7	Cl8
Si1		1.9300	1.4932	1.4932	1.4932	3.0352	3.0352	3.0352
C2	1.9300		2.7688	2.7688	2.7688	1.7874	1.7874	1.7874
H3	1.4932	2.7688		2.4696	2.4696	4.2998	3.3581	3.3581
H4	1.4932	2.7688	2.4696		2.4696	3.3581	3.3581	4.2998
H5	1.4932	2.7688	2.4696	2.4696		3.3581	4.2998	3.3581
Cl6	3.0352	1.7874	4.2998	3.3581	3.3581		2.9199	2.9199
Cl7	3.0352	1.7874	3.3581	3.3581	4.2998	2.9199		2.9199
Cl8	3.0352	1.7874	3.3581	4.2998	3.3581	2.9199	2.9199

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Si1	C2	Cl6	109.409	Si1	C2	Cl7	109.409
Si1	C2	Cl8	109.409	C2	Si1	H3	107.278
C2	Si1	H4	107.278	C2	Si1	H5	107.278
H3	Si1	H4	111.573	H3	Si1	H5	111.573
H4	Si1	H5	111.573	Cl6	C2	Cl7	109.533
Cl6	C2	Cl8	109.533	Cl7	C2	Cl8	109.533

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

using model chemistry: PBE1PBE/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	0.370
2	C	-0.409
3	H	-0.012
4	H	-0.012
5	H	-0.012
6	Cl	0.025
7	Cl	0.025
8	Cl	0.025

<r²>	273.698
(<r²>)^1/2	16.544

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

using model chemistry: PBE1PBE/cc-pVDZ

States and conformations

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