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	hartrees
Energy at 0K	-1709.747249
Energy at 298.15K	-1709.750552
HF Energy	-1709.747249
Nuclear repulsion energy	435.899054

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2277	2179	56.11
2	A₁	927	887	187.42
3	A₁	872	834	76.66
4	A₁	430	411	7.96
5	A₁	283	271	10.28
6	A₂	190	182	0.00
7	E	2301	2202	109.14
7	E	2301	2202	109.14
8	E	939	899	59.72
8	E	939	899	59.72
9	E	750	717	62.27
9	E	750	717	62.28
10	E	607	581	74.75
10	E	607	581	74.77
11	E	274	262	0.00
11	E	274	262	0.00
12	E	159	152	0.01
12	E	159	152	0.01

Atom	x (Å)	y (Å)	z (Å)
Si1	0.000	0.000	1.874
C2	0.000	0.000	-0.052
H3	0.000	-1.414	2.319
H4	1.225	0.707	2.319
H5	-1.225	0.707	2.319
Cl6	0.000	1.692	-0.645
Cl7	1.465	-0.846	-0.645
Cl8	-1.465	-0.846	-0.645

	Si1	C2	H3	H4	H5	Cl6	Cl7	Cl8
Si1		1.9261	1.4824	1.4824	1.4824	3.0348	3.0348	3.0348
C2	1.9261		2.7600	2.7600	2.7600	1.7931	1.7931	1.7931
H3	1.4824	2.7600		2.4497	2.4497	4.2932	3.3544	3.3544
H4	1.4824	2.7600	2.4497		2.4497	3.3544	3.3544	4.2932
H5	1.4824	2.7600	2.4497	2.4497		3.3544	4.2932	3.3544
Cl6	3.0348	1.7931	4.2932	3.3544	3.3544		2.9308	2.9308
Cl7	3.0348	1.7931	3.3544	3.3544	4.2932	2.9308		2.9308
Cl8	3.0348	1.7931	3.3544	4.2932	3.3544	2.9308	2.9308

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Si1	C2	Cl6	109.322	Si1	C2	Cl7	109.322
Si1	C2	Cl8	109.322	C2	Si1	H3	107.430
C2	Si1	H4	107.430	C2	Si1	H5	107.430
H3	Si1	H4	111.433	H3	Si1	H5	111.433
H4	Si1	H5	111.433	Cl6	C2	Cl7	109.620
Cl6	C2	Cl8	109.620	Cl7	C2	Cl8	109.620

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

using model chemistry: B3PW91/6-31G*

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	0.443
2	C	-0.490
3	H	-0.037
4	H	-0.037
5	H	-0.037
6	Cl	0.053
7	Cl	0.053
8	Cl	0.053

<r²>	274.473
(<r²>)^1/2	16.567

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

using model chemistry: B3PW91/6-31G*

States and conformations

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