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	hartrees
Energy at 0K	-1690.441895
Energy at 298.15K	-1690.445073
HF Energy	-1690.394957
Nuclear repulsion energy	425.847501

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2711	2711	1.30
2	A₁	1054	1054	204.46
3	A₁	978	978	89.36
4	A₁	453	453	5.11
5	A₁	284	284	12.99
6	A₂	149	149	0.00
7	E	2776	2776	3.50
7	E	2776	2776	3.50
8	E	1106	1106	68.80
8	E	1106	1106	68.80
9	E	900	900	41.94
9	E	900	900	41.94
10	E	698	698	66.88
10	E	698	698	66.88
11	E	266	266	1.08
11	E	266	266	1.08
12	E	167	167	0.12
12	E	167	167	0.12

Atom	x (Å)	y (Å)	z (Å)
Si1	0.000	0.000	1.914
C2	0.000	0.000	-0.010
H3	0.000	-1.376	2.333
H4	1.191	0.688	2.333
H5	-1.191	0.688	2.333
Cl6	0.000	1.740	-0.662
Cl7	1.507	-0.870	-0.662
Cl8	-1.507	-0.870	-0.662

	Si1	C2	H3	H4	H5	Cl6	Cl7	Cl8
Si1		1.9238	1.4382	1.4382	1.4382	3.1082	3.1082	3.1082
C2	1.9238		2.7172	2.7172	2.7172	1.8580	1.8580	1.8580
H3	1.4382	2.7172		2.3827	2.3827	4.3217	3.3906	3.3906
H4	1.4382	2.7172	2.3827		2.3827	3.3906	3.3906	4.3217
H5	1.4382	2.7172	2.3827	2.3827		3.3906	4.3217	3.3906
Cl6	3.1082	1.8580	4.3217	3.3906	3.3906		3.0136	3.0136
Cl7	3.1082	1.8580	3.3906	3.3906	4.3217	3.0136		3.0136
Cl8	3.1082	1.8580	3.3906	4.3217	3.3906	3.0136	3.0136

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Si1	C2	Cl6	110.534	Si1	C2	Cl7	110.534
Si1	C2	Cl8	110.534	C2	Si1	H3	106.956
C2	Si1	H4	106.956	C2	Si1	H5	106.956
H3	Si1	H4	111.865	H3	Si1	H5	111.865
H4	Si1	H5	111.865	Cl6	C2	Cl7	108.387
Cl6	C2	Cl8	108.387	Cl7	C2	Cl8	108.388

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

using model chemistry: B2PLYP/STO-3G

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	0.675
2	C	-0.044
3	H	-0.106
4	H	-0.106
5	H	-0.106
6	Cl	-0.105
7	Cl	-0.105
8	Cl	-0.105

<r²>	284.059
(<r²>)^1/2	16.854

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

using model chemistry: B2PLYP/STO-3G

States and conformations

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