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	hartrees
Energy at 0K	-1709.986755
Energy at 298.15K	-1709.990083
HF Energy	-1709.986755
Nuclear repulsion energy	439.018911

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2254	2153	41.36
2	A₁	933	892	158.22
3	A₁	889	849	102.77
4	A₁	444	424	8.30
5	A₁	280	268	9.52
6	A₂	153	146	0.04
7	E	2273	2171	65.16
7	E	2273	2171	65.72
8	E	954	911	55.93
8	E	954	911	55.73
9	E	794	759	51.31
9	E	794	759	52.08
10	E	604	577	47.31
10	E	603	576	48.44
11	E	269	257	0.00
11	E	269	257	0.00
12	E	155	148	0.03
12	E	155	148	0.07

Atom	x (Å)	y (Å)	z (Å)
Si1	0.000	0.000	1.866
C2	0.000	0.000	-0.048
H3	0.000	-1.410	2.294
H4	1.221	0.705	2.294
H5	-1.221	0.705	2.294
Cl6	0.000	1.678	-0.642
Cl7	1.454	-0.839	-0.642
Cl8	-1.454	-0.839	-0.642

	Si1	C2	H3	H4	H5	Cl6	Cl7	Cl8
Si1		1.9137	1.4733	1.4733	1.4733	3.0173	3.0173	3.0173
C2	1.9137		2.7330	2.7330	2.7330	1.7803	1.7803	1.7803
H3	1.4733	2.7330		2.4419	2.4419	4.2605	3.3246	3.3246
H4	1.4733	2.7330	2.4419		2.4419	3.3246	3.3246	4.2605
H5	1.4733	2.7330	2.4419	2.4419		3.3246	4.2605	3.3246
Cl6	3.0173	1.7803	4.2605	3.3246	3.3246		2.9070	2.9070
Cl7	3.0173	1.7803	3.3246	3.3246	4.2605	2.9070		2.9070
Cl8	3.0173	1.7803	3.3246	4.2605	3.3246	2.9070	2.9070

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Si1	C2	Cl6	109.482	Si1	C2	Cl7	109.482
Si1	C2	Cl8	109.482	C2	Si1	H3	106.873
C2	Si1	H4	106.873	C2	Si1	H5	106.873
H3	Si1	H4	111.940	H3	Si1	H5	111.940
H4	Si1	H5	111.940	Cl6	C2	Cl7	109.460
Cl6	C2	Cl8	109.460	Cl7	C2	Cl8	109.460

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

using model chemistry: M06-2X/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	0.168
2	C	-0.148
3	H	0.026
4	H	0.026
5	H	0.026
6	Cl	-0.032
7	Cl	-0.032
8	Cl	-0.032

	x	y	z
x	11.154	0.000	0.000
y	0.000	11.155	0.001
z	0.000	0.001	10.490

<r²>	271.215
(<r²>)^1/2	16.469

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

using model chemistry: M06-2X/cc-pVTZ

States and conformations

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