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	hartrees
Energy at 0K	-1707.736837
Energy at 298.15K	-1707.740279
HF Energy	-1707.026616
Nuclear repulsion energy	433.895988

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2270	2178	43.33
2	A₁	938	900	206.65
3	A₁	890	854	68.97
4	A₁	431	414	8.24
5	A₁	285	274	9.82
6	A₂	197	189	0.00
7	E	2290	2197	77.77
7	E	2290	2197	77.77
8	E	948	910	62.98
8	E	948	910	62.98
9	E	788	756	43.16
9	E	788	756	43.16
10	E	619	593	58.13
10	E	619	593	58.13
11	E	275	264	0.00
11	E	275	264	0.00
12	E	166	159	0.03
12	E	166	159	0.03

Atom	x (Å)	y (Å)	z (Å)
Si1	0.000	0.000	1.891
C2	0.000	0.000	-0.048
H3	0.000	-1.417	2.338
H4	1.227	0.708	2.338
H5	-1.227	0.708	2.338
Cl6	0.000	1.697	-0.651
Cl7	1.469	-0.848	-0.651
Cl8	-1.469	-0.848	-0.651

	Si1	C2	H3	H4	H5	Cl6	Cl7	Cl8
Si1		1.9389	1.4854	1.4854	1.4854	3.0562	3.0562	3.0562
C2	1.9389		2.7744	2.7744	2.7744	1.8006	1.8006	1.8006
H3	1.4854	2.7744		2.4537	2.4537	4.3155	3.3784	3.3784
H4	1.4854	2.7744	2.4537		2.4537	3.3784	3.3784	4.3155
H5	1.4854	2.7744	2.4537	2.4537		3.3784	4.3155	3.3784
Cl6	3.0562	1.8006	4.3155	3.3784	3.3784		2.9385	2.9385
Cl7	3.0562	1.8006	3.3784	3.3784	4.3155	2.9385		2.9385
Cl8	3.0562	1.8006	3.3784	4.3155	3.3784	2.9385	2.9385

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Si1	C2	Cl6	109.572	Si1	C2	Cl7	109.572
Si1	C2	Cl8	109.572	C2	Si1	H3	107.498
C2	Si1	H4	107.498	C2	Si1	H5	107.498
H3	Si1	H4	111.370	H3	Si1	H5	111.370
H4	Si1	H5	111.370	Cl6	C2	Cl7	109.370
Cl6	C2	Cl8	109.370	Cl7	C2	Cl8	109.370

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

using model chemistry: QCISD/cc-pVDZ

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

using model chemistry: QCISD/cc-pVDZ

States and conformations

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