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	hartrees
Energy at 0K	-1710.241002
Energy at 298.15K	-1710.244295
HF Energy	-1710.241002
Nuclear repulsion energy	439.849374

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2259	2165	45.83
2	A₁	924	885	135.86
3	A₁	874	838	103.90
4	A₁	434	416	7.14
5	A₁	276	264	8.96
6	A₂	191	183	0.00
7	E	2281	2186	71.28
7	E	2281	2186	71.30
8	E	934	896	51.35
8	E	934	896	51.34
9	E	756	725	49.01
9	E	756	725	49.02
10	E	605	580	56.81
10	E	605	580	56.82
11	E	264	253	0.01
11	E	264	253	0.01
12	E	146	140	0.07
12	E	146	140	0.07

Atom	x (Å)	y (Å)	z (Å)
Si1	0.000	0.000	1.859
C2	0.000	0.000	-0.051
H3	0.000	-1.410	2.297
H4	1.221	0.705	2.297
H5	-1.221	0.705	2.297
Cl6	0.000	1.676	-0.640
Cl7	1.451	-0.838	-0.640
Cl8	-1.451	-0.838	-0.640

	Si1	C2	H3	H4	H5	Cl6	Cl7	Cl8
Si1		1.9100	1.4767	1.4767	1.4767	3.0087	3.0087	3.0087
C2	1.9100		2.7390	2.7390	2.7390	1.7761	1.7761	1.7761
H3	1.4767	2.7390		2.4426	2.4426	4.2601	3.3256	3.3256
H4	1.4767	2.7390	2.4426		2.4426	3.3256	3.3256	4.2601
H5	1.4767	2.7390	2.4426	2.4426		3.3256	4.2601	3.3256
Cl6	3.0087	1.7761	4.2601	3.3256	3.3256		2.9022	2.9022
Cl7	3.0087	1.7761	3.3256	3.3256	4.2601	2.9022		2.9022
Cl8	3.0087	1.7761	3.3256	4.2601	3.3256	2.9022	2.9022

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Si1	C2	Cl6	109.368	Si1	C2	Cl7	109.368
Si1	C2	Cl8	109.368	C2	Si1	H3	107.257
C2	Si1	H4	107.257	C2	Si1	H5	107.257
H3	Si1	H4	111.592	H3	Si1	H5	111.592
H4	Si1	H5	111.592	Cl6	C2	Cl7	109.574
Cl6	C2	Cl8	109.574	Cl7	C2	Cl8	109.574

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

using model chemistry: B1B95/aug-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	0.671
2	C	0.430
3	H	-0.142
4	H	-0.142
5	H	-0.142
6	Cl	-0.225
7	Cl	-0.225
8	Cl	-0.225

	x	y	z
x	12.385	0.000	0.000
y	0.000	12.383	-0.001
z	0.000	-0.001	12.063

<r²>	270.187
(<r²>)^1/2	16.437

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

using model chemistry: B1B95/aug-cc-pVTZ

States and conformations

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