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	hartrees
Energy at 0K	-1709.182409
Energy at 298.15K	-1709.185613
HF Energy	-1709.182409
Nuclear repulsion energy	425.433440

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2211	2114	46.86
2	A₁	882	843	99.80
3	A₁	854	816	112.20
4	A₁	408	390	9.89
5	A₁	281	269	10.30
6	A₂	169	162	0.00
7	E	2247	2148	94.28
7	E	2247	2148	94.29
8	E	910	870	49.22
8	E	910	870	49.21
9	E	722	691	53.83
9	E	722	691	53.83
10	E	586	560	81.14
10	E	586	560	81.18
11	E	268	256	0.15
11	E	268	256	0.15
12	E	168	160	0.00
12	E	168	160	0.00

Atom	x (Å)	y (Å)	z (Å)
Si1	0.000	0.000	1.915
C2	0.000	0.000	-0.027
H3	0.000	-1.431	2.349
H4	1.239	0.716	2.349
H5	-1.239	0.716	2.349
Cl6	0.000	1.737	-0.661
Cl7	1.505	-0.869	-0.661
Cl8	-1.505	-0.869	-0.661

	Si1	C2	H3	H4	H5	Cl6	Cl7	Cl8
Si1		1.9417	1.4954	1.4954	1.4954	3.1071	3.1071	3.1071
C2	1.9417		2.7733	2.7733	2.7733	1.8496	1.8496	1.8496
H3	1.4954	2.7733		2.4788	2.4788	4.3702	3.4117	3.4117
H4	1.4954	2.7733	2.4788		2.4788	3.4117	3.4117	4.3702
H5	1.4954	2.7733	2.4788	2.4788		3.4117	4.3702	3.4117
Cl6	3.1071	1.8496	4.3702	3.4117	3.4117		3.0094	3.0094
Cl7	3.1071	1.8496	3.4117	3.4117	4.3702	3.0094		3.0094
Cl8	3.1071	1.8496	3.4117	4.3702	3.4117	3.0094	3.0094

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Si1	C2	Cl6	110.054	Si1	C2	Cl7	110.054
Si1	C2	Cl8	110.054	C2	Si1	H3	106.867
C2	Si1	H4	106.867	C2	Si1	H5	106.867
H3	Si1	H4	111.945	H3	Si1	H5	111.945
H4	Si1	H5	111.945	Cl6	C2	Cl7	108.882
Cl6	C2	Cl8	108.882	Cl7	C2	Cl8	108.882

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

using model chemistry: PBE1PBE/6-31G

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	0.638
2	C	-0.792
3	H	-0.068
4	H	-0.068
5	H	-0.068
6	Cl	0.120
7	Cl	0.120
8	Cl	0.120

<r²>	287.012
(<r²>)^1/2	16.941

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

using model chemistry: PBE1PBE/6-31G

States and conformations

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