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	hartrees
Energy at 0K	-1701.623978
Energy at 298.15K	-1701.627154
HF Energy	-1701.623978
Nuclear repulsion energy	421.130409

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2226	2148	39.63
2	A₁	902	870	204.35
3	A₁	860	830	46.08
4	A₁	385	372	13.04
5	A₁	265	256	9.37
6	A₂	203	196	0.00
7	E	2253	2174	75.76
7	E	2253	2174	75.76
8	E	925	893	52.96
8	E	925	893	52.95
9	E	703	679	29.27
9	E	703	679	29.28
10	E	589	568	109.21
10	E	589	568	109.19
11	E	252	243	0.04
11	E	252	243	0.04
12	E	164	159	0.00
12	E	164	159	0.00

Atom	x (Å)	y (Å)	z (Å)
Si1	0.000	0.000	1.927
C2	0.000	0.000	-0.010
H3	0.000	-1.424	2.362
H4	1.233	0.712	2.362
H5	-1.233	0.712	2.362
Cl6	0.000	1.760	-0.667
Cl7	1.524	-0.880	-0.667
Cl8	-1.524	-0.880	-0.667

	Si1	C2	H3	H4	H5	Cl6	Cl7	Cl8
Si1		1.9372	1.4886	1.4886	1.4886	3.1343	3.1343	3.1343
C2	1.9372		2.7662	2.7662	2.7662	1.8781	1.8781	1.8781
H3	1.4886	2.7662		2.4660	2.4660	4.3937	3.4335	3.4335
H4	1.4886	2.7662	2.4660		2.4660	3.4335	3.4335	4.3937
H5	1.4886	2.7662	2.4660	2.4660		3.4335	4.3937	3.4335
Cl6	3.1343	1.8781	4.3937	3.4335	3.4335		3.0477	3.0477
Cl7	3.1343	1.8781	3.4335	3.4335	4.3937	3.0477		3.0477
Cl8	3.1343	1.8781	3.4335	4.3937	3.4335	3.0477	3.0477

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Si1	C2	Cl6	110.465	Si1	C2	Cl7	110.465
Si1	C2	Cl8	110.465	C2	Si1	H3	106.971
C2	Si1	H4	106.971	C2	Si1	H5	106.971
H3	Si1	H4	111.851	H3	Si1	H5	111.851
H4	Si1	H5	111.851	Cl6	C2	Cl7	108.460
Cl6	C2	Cl8	108.460	Cl7	C2	Cl8	108.460

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

using model chemistry: B3LYP/3-21G

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	0.758
2	C	-0.820
3	H	-0.080
4	H	-0.080
5	H	-0.080
6	Cl	0.100
7	Cl	0.100
8	Cl	0.100

<r²>	292.450
(<r²>)^1/2	17.101

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

using model chemistry: B3LYP/3-21G

States and conformations

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