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	hartrees
Energy at 0K	-1709.297433
Energy at 298.15K	-1709.300847
HF Energy	-1709.085256
Nuclear repulsion energy	435.427082

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2310	2200	53.51
2	A₁	948	903	244.65
3	A₁	886	844	33.19
4	A₁	429	408	7.84
5	A₁	287	273	9.98
6	A₂	194	185	0.00
7	E	2330	2219	91.29
7	E	2330	2219	91.27
8	E	970	924	62.20
8	E	970	924	62.21
9	E	761	725	47.07
9	E	761	725	47.04
10	E	619	589	74.39
10	E	619	589	74.37
11	E	277	264	0.01
11	E	277	264	0.01
12	E	166	158	0.05
12	E	166	158	0.05

Atom	x (Å)	y (Å)	z (Å)
Si1	0.000	0.000	1.881
C2	0.000	0.000	-0.047
H3	0.000	-1.408	2.316
H4	1.219	0.704	2.316
H5	-1.219	0.704	2.316
Cl6	0.000	1.693	-0.647
Cl7	1.466	-0.847	-0.647
Cl8	-1.466	-0.847	-0.647

	Si1	C2	H3	H4	H5	Cl6	Cl7	Cl8
Si1		1.9275	1.4733	1.4733	1.4733	3.0423	3.0423	3.0423
C2	1.9275		2.7503	2.7503	2.7503	1.7964	1.7964	1.7964
H3	1.4733	2.7503		2.4380	2.4380	4.2887	3.3531	3.3531
H4	1.4733	2.7503	2.4380		2.4380	3.3531	3.3531	4.2887
H5	1.4733	2.7503	2.4380	2.4380		3.3531	4.2887	3.3531
Cl6	3.0423	1.7964	4.2887	3.3531	3.3531		2.9327	2.9327
Cl7	3.0423	1.7964	3.3531	3.3531	4.2887	2.9327		2.9327
Cl8	3.0423	1.7964	3.3531	4.2887	3.3531	2.9327	2.9327

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Si1	C2	Cl6	109.515	Si1	C2	Cl7	109.515
Si1	C2	Cl8	109.515	C2	Si1	H3	107.182
C2	Si1	H4	107.182	C2	Si1	H5	107.182
H3	Si1	H4	111.660	H3	Si1	H5	111.660
H4	Si1	H5	111.660	Cl6	C2	Cl7	109.428
Cl6	C2	Cl8	109.428	Cl7	C2	Cl8	109.428

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

using model chemistry: B2PLYP/6-31+G**

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	0.596
2	C	-0.520
3	H	-0.090
4	H	-0.090
5	H	-0.090
6	Cl	0.065
7	Cl	0.065
8	Cl	0.065

<r²>	275.786
(<r²>)^1/2	16.607

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

using model chemistry: B2PLYP/6-31+G**

States and conformations

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