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	hartrees
Energy at 0K	-1670.987635
Energy at 298.15K	-1670.989286
Nuclear repulsion energy	338.447417

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2313	2215	58.24
2	A₁	496	475	25.86
3	A₁	247	237	7.24
4	E	794	761	132.56
4	E	794	761	132.64
5	E	605	580	140.21
5	E	605	580	140.26
6	E	170	163	1.83
6	E	170	163	1.83

Atom	x (Å)	y (Å)	z (Å)
Si1	0.000	0.000	0.501
H2	0.000	0.000	1.968
Cl3	0.000	1.917	-0.176
Cl4	1.660	-0.958	-0.176
Cl5	-1.660	-0.958	-0.176

	Si1	H2	Cl3	Cl4	Cl5
Si1		1.4661	2.0332	2.0332	2.0332
H2	1.4661		2.8759	2.8759	2.8759
Cl3	2.0332	2.8759		3.3203	3.3203
Cl4	2.0332	2.8759	3.3203		3.3203
Cl5	2.0332	2.8759	3.3203	3.3203

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	Si1	Cl3	109.470	H2	Si1	Cl4	109.470
H2	Si1	Cl5	109.470	Cl3	Si1	Cl4	109.473
Cl3	Si1	Cl5	109.473	Cl4	Si1	Cl5	109.473

All results from a given calculation for SiHCl₃ (Trichlorosilane)

using model chemistry: B1B95/6-31G(2df,p)

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	0.367
2	H	0.039
3	Cl	-0.135
4	Cl	-0.135
5	Cl	-0.135

	x	y	z	Total
	0.000	0.000	0.828	0.828
CHELPG
AIM
ESP

	x	y	z
x	8.790	0.000	0.000
y	0.000	8.794	-0.000
z	0.000	-0.000	6.622

<r²>	227.724
(<r²>)^1/2	15.091

All results from a given calculation for SiHCl3 (Trichlorosilane)

using model chemistry: B1B95/6-31G(2df,p)

States and conformations

All results from a given calculation for SiHCl₃ (Trichlorosilane)