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	hartrees
Energy at 0K	-1710.086420
Energy at 298.15K	-1710.089748
HF Energy	-1710.086420
Nuclear repulsion energy	438.090172

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2281	2182	52.70
2	A₁	925	885	152.65
3	A₁	877	839	96.20
4	A₁	434	416	7.71
5	A₁	281	269	10.40
6	A₂	194	186	0.00
7	E	2304	2204	85.52
7	E	2304	2204	85.52
8	E	942	901	57.46
8	E	942	901	57.46
9	E	762	729	59.86
9	E	762	729	59.90
10	E	608	582	66.19
10	E	608	582	66.27
11	E	272	260	0.00
11	E	272	260	0.00
12	E	153	146	0.03
12	E	153	146	0.03

Atom	x (Å)	y (Å)	z (Å)
Si1	0.000	0.000	1.866
C2	0.000	0.000	-0.053
H3	0.000	-1.412	2.301
H4	1.223	0.706	2.301
H5	-1.223	0.706	2.301
Cl6	0.000	1.684	-0.641
Cl7	1.458	-0.842	-0.641
Cl8	-1.458	-0.842	-0.641

	Si1	C2	H3	H4	H5	Cl6	Cl7	Cl8
Si1		1.9193	1.4771	1.4771	1.4771	3.0202	3.0202	3.0202
C2	1.9193		2.7449	2.7449	2.7449	1.7833	1.7833	1.7833
H3	1.4771	2.7449		2.4452	2.4452	4.2704	3.3326	3.3326
H4	1.4771	2.7449	2.4452		2.4452	3.3327	3.3326	4.2704
H5	1.4771	2.7449	2.4452	2.4452		3.3327	4.2704	3.3326
Cl6	3.0202	1.7833	4.2704	3.3327	3.3327		2.9159	2.9159
Cl7	3.0202	1.7833	3.3326	3.3326	4.2704	2.9159		2.9159
Cl8	3.0202	1.7833	3.3326	4.2704	3.3326	2.9159	2.9159

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Si1	C2	Cl6	109.256	Si1	C2	Cl7	109.256
Si1	C2	Cl8	109.256	C2	Si1	H3	107.115
C2	Si1	H4	107.115	C2	Si1	H5	107.115
H3	Si1	H4	111.722	H3	Si1	H5	111.722
H4	Si1	H5	111.722	Cl6	C2	Cl7	109.686
Cl6	C2	Cl8	109.686	Cl7	C2	Cl8	109.686

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

using model chemistry: B1B95/6-31+G**

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	0.453
2	C	-0.528
3	H	-0.059
4	H	-0.059
5	H	-0.059
6	Cl	0.084
7	Cl	0.084
8	Cl	0.084

	x	y	z
x	11.051	0.000	0.000
y	0.000	11.049	-0.000
z	0.000	-0.000	10.208

<r²>	272.303
(<r²>)^1/2	16.502

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

using model chemistry: B1B95/6-31+G**

States and conformations

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