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	hartrees
Energy at 0K	-77.221137
Energy at 298.15K
HF Energy	-77.221137
Nuclear repulsion energy	63.744589

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)	Raman Act (Å⁴/u)	Dep P	Dep U
1	?_a	825	825	18.36	9.10	0.75	0.86
2	?_a	825	825	18.45	9.03	0.75	0.86
3	?_a	820	820	89.23	5.24	0.00	0.00
4	A₁	2374	2374	73.00	87.73	0.18	0.31
4	A₁	406	406	73.00	0.95	0.64	0.78
5	E	968	968	267.79	0.38	0.75	0.86
5	E	968	968	268.01	0.38	0.75	0.86
6	E	287	287	12.89	0.67	0.75	0.86
6	E	287	287	12.90	0.67	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
Si1	0.000	0.000	0.330
H2	0.000	0.000	1.807
F3	0.000	1.493	-0.238
F4	1.293	-0.746	-0.238
F5	-1.293	-0.746	-0.238

	Si1	H2	F3	F4	F5
Si1		1.4767	1.5971	1.5971	1.5971
H2	1.4767		2.5316	2.5316	2.5316
F3	1.5971	2.5316		2.5853	2.5853
F4	1.5971	2.5316	2.5853		2.5853
F5	1.5971	2.5316	2.5853	2.5853

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	Si1	F3	110.837	H2	Si1	F4	110.837
H2	Si1	F5	110.837	F3	Si1	F4	108.072
F3	Si1	F5	108.072	F4	Si1	F5	108.072

All results from a given calculation for SiHF₃ (trifluorosilane)

using model chemistry: wB97X-D/CEP-121G*

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	0.970
2	H	-0.025
3	F	-0.315
4	F	-0.315
5	F	-0.315

	x	y	z	Total
	0.000	0.000	1.591	1.591
CHELPG
AIM
ESP

	x	y	z
x	2.891	0.000	0.000
y	0.000	2.892	0.002
z	0.000	0.002	3.018

<r²>	68.594
(<r²>)^1/2	8.282

All results from a given calculation for SiHF3 (trifluorosilane)

using model chemistry: wB97X-D/CEP-121G*

States and conformations

All results from a given calculation for SiHF₃ (trifluorosilane)