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	hartrees
Energy at 0K	-1706.946258
Energy at 298.15K	-1706.949995
HF Energy	-1706.946258
Nuclear repulsion energy	438.084251

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2403	2169	66.13
2	A₁	1020	920	354.99
3	A₁	951	859	27.43
4	A₁	462	417	9.35
5	A₁	305	275	12.38
6	A₂	195	176	0.00
7	E	2412	2177	142.63
7	E	2412	2177	142.63
8	E	1036	935	89.96
8	E	1036	935	89.96
9	E	860	776	53.27
9	E	860	776	53.27
10	E	673	607	73.04
10	E	673	607	73.04
11	E	300	271	0.07
11	E	300	271	0.07
12	E	181	163	0.01
12	E	181	163	0.01

Atom	x (Å)	y (Å)	z (Å)
Si1	0.000	0.000	1.883
C2	0.000	0.000	-0.049
H3	0.000	-1.403	2.316
H4	1.215	0.702	2.316
H5	-1.215	0.702	2.316
Cl6	0.000	1.677	-0.647
Cl7	1.452	-0.838	-0.647
Cl8	-1.452	-0.838	-0.647

	Si1	C2	H3	H4	H5	Cl6	Cl7	Cl8
Si1		1.9322	1.4685	1.4685	1.4685	3.0358	3.0358	3.0358
C2	1.9322		2.7501	2.7501	2.7501	1.7803	1.7803	1.7803
H3	1.4685	2.7501		2.4305	2.4305	4.2743	3.3484	3.3484
H4	1.4685	2.7501	2.4305		2.4305	3.3484	3.3484	4.2743
H5	1.4685	2.7501	2.4305	2.4305		3.3484	4.2743	3.3484
Cl6	3.0358	1.7803	4.2743	3.3484	3.3484		2.9041	2.9041
Cl7	3.0358	1.7803	3.3484	3.3484	4.2743	2.9041		2.9041
Cl8	3.0358	1.7803	3.3484	4.2743	3.3484	2.9041	2.9041

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Si1	C2	Cl6	109.647	Si1	C2	Cl7	109.647
Si1	C2	Cl8	109.647	C2	Si1	H3	107.149
C2	Si1	H4	107.149	C2	Si1	H5	107.149
H3	Si1	H4	111.690	H3	Si1	H5	111.690
H4	Si1	H5	111.690	Cl6	C2	Cl7	109.294
Cl6	C2	Cl8	109.294	Cl7	C2	Cl8	109.294

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

using model chemistry: HF/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	0.850
2	C	-0.492
3	H	-0.142
4	H	-0.142
5	H	-0.142
6	Cl	0.023
7	Cl	0.023
8	Cl	0.023

<r²>	273.068
(<r²>)^1/2	16.525

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

using model chemistry: HF/6-31G**

States and conformations

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