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	hartrees
Energy at 0K	-1709.866833
Energy at 298.15K	-1709.869934
HF Energy	-1709.866833
Nuclear repulsion energy	421.198706

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2199	2115	48.27
2	A₁	882	848	206.76
3	A₁	837	805	26.73
4	A₁	387	372	11.49
5	A₁	273	263	10.41
6	A₂	169	162	0.00
7	E	2234	2149	97.93
7	E	2234	2149	97.93
8	E	915	881	51.23
8	E	915	881	51.22
9	E	693	667	34.95
9	E	693	667	34.96
10	E	572	550	108.25
10	E	572	550	108.23
11	E	259	250	0.02
11	E	259	250	0.02
12	E	166	160	0.00
12	E	166	160	0.00

Atom	x (Å)	y (Å)	z (Å)
Si1	0.000	0.000	1.933
C2	0.000	0.000	-0.019
H3	0.000	-1.429	2.369
H4	1.237	0.714	2.369
H5	-1.237	0.714	2.369
Cl6	0.000	1.757	-0.668
Cl7	1.521	-0.878	-0.668
Cl8	-1.521	-0.878	-0.668

	Si1	C2	H3	H4	H5	Cl6	Cl7	Cl8
Si1		1.9518	1.4935	1.4935	1.4935	3.1384	3.1384	3.1384
C2	1.9518		2.7823	2.7823	2.7823	1.8726	1.8726	1.8726
H3	1.4935	2.7823		2.4742	2.4742	4.4006	3.4406	3.4406
H4	1.4935	2.7823	2.4742		2.4742	3.4406	3.4406	4.4006
H5	1.4935	2.7823	2.4742	2.4742		3.4406	4.4006	3.4406
Cl6	3.1384	1.8726	4.4006	3.4406	3.4406		3.0425	3.0425
Cl7	3.1384	1.8726	3.4406	3.4406	4.4006	3.0425		3.0425
Cl8	3.1384	1.8726	3.4406	4.4006	3.4406	3.0425	3.0425

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Si1	C2	Cl6	110.277	Si1	C2	Cl7	110.277
Si1	C2	Cl8	110.277	C2	Si1	H3	106.965
C2	Si1	H4	106.965	C2	Si1	H5	106.965
H3	Si1	H4	111.857	H3	Si1	H5	111.857
H4	Si1	H5	111.857	Cl6	C2	Cl7	108.654
Cl6	C2	Cl8	108.654	Cl7	C2	Cl8	108.654

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

using model chemistry: B3LYP/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	0.649
2	C	-0.687
3	H	-0.078
4	H	-0.078
5	H	-0.078
6	Cl	0.090
7	Cl	0.090
8	Cl	0.090

<r²>	292.150
(<r²>)^1/2	17.092

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

using model chemistry: B3LYP/6-31G

States and conformations

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