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	hartrees
Energy at 0K	-1702.185368
Energy at 298.15K	-1702.188752
HF Energy	-1702.185368
Nuclear repulsion energy	439.797402

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3074	2913	0.80
2	A₁	1390	1318	57.35
3	A₁	788	747	84.33
4	A₁	467	442	21.16
5	A₁	238	226	15.55
6	A₂	171	162	0.00
7	E	3162	2997	0.19
7	E	3162	2997	0.19
8	E	1516	1437	8.68
8	E	1516	1437	8.67
9	E	879	833	112.18
9	E	879	833	112.12
10	E	612	580	154.42
10	E	612	580	154.42
11	E	224	213	4.17
11	E	224	213	4.18
12	E	163	155	0.89
12	E	163	155	0.89

Atom	x (Å)	y (Å)	z (Å)
Si1	0.000	0.000	0.251
C2	0.000	0.000	2.099
Cl3	0.000	1.912	-0.461
Cl4	1.656	-0.956	-0.461
Cl5	-1.656	-0.956	-0.461
H6	0.000	-1.029	2.477
H7	0.891	0.515	2.477
H8	-0.891	0.515	2.477

	Si1	C2	Cl3	Cl4	Cl5	H6	H7	H8
Si1		1.8483	2.0404	2.0404	2.0404	2.4530	2.4530	2.4530
C2	1.8483		3.1956	3.1956	3.1956	1.0964	1.0964	1.0964
Cl3	2.0404	3.1956		3.3119	3.3119	4.1577	3.3740	3.3740
Cl4	2.0404	3.1956	3.3119		3.3119	3.3740	3.3740	4.1577
Cl5	2.0404	3.1956	3.3119	3.3119		3.3740	4.1577	3.3740
H6	2.4530	1.0964	4.1577	3.3740	3.3740		1.7823	1.7823
H7	2.4530	1.0964	3.3740	3.3740	4.1577	1.7823		1.7823
H8	2.4530	1.0964	3.3740	4.1577	3.3740	1.7823	1.7823

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Si1	C2	H6	110.191	Si1	C2	H7	110.191
Si1	C2	H8	110.191	C2	Si1	Cl3	110.426
C2	Si1	Cl4	110.426	C2	Si1	Cl5	110.426
Cl3	Si1	Cl4	108.500	Cl3	Si1	Cl5	108.500
Cl4	Si1	Cl5	108.500	H6	C2	H7	108.742
H6	C2	H8	108.742	H7	C2	H8	108.742

All results from a given calculation for SiCl₃CH₃ (methyltrichlorosilane)

using model chemistry: wB97X-D/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	0.949
2	C	-0.931
3	Cl	-0.258
4	Cl	-0.258
5	Cl	-0.258
6	H	0.252
7	H	0.252
8	H	0.252

	x	y	z
x	8.356	0.000	0.000
y	0.000	8.358	0.001
z	0.000	0.001	7.139

<r²>	282.186
(<r²>)^1/2	16.798

All results from a given calculation for SiCl3CH3 (methyltrichlorosilane)

using model chemistry: wB97X-D/3-21G*

States and conformations

All results from a given calculation for SiCl₃CH₃ (methyltrichlorosilane)