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	hartrees
Energy at 0K	-589.610523
Energy at 298.15K
HF Energy	-589.610523
Nuclear repulsion energy	188.363358

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)	Raman Act (Å⁴/u)	Dep P	Dep U
1	A₁	2359	2359	60.24	87.61	0.12	0.21
2	A₁	852	852	81.59	5.08	0.00	0.00
3	A₁	416	416	67.53	0.70	0.64	0.78
4	E	998	998	249.43	0.45	0.75	0.86
4	E	998	998	249.43	0.45	0.75	0.86
5	E	831	831	21.16	5.45	0.75	0.86
5	E	831	831	21.16	5.45	0.75	0.86
6	E	299	299	11.69	0.47	0.75	0.86
6	E	299	299	11.69	0.47	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
Si1	0.000	0.000	0.322
H2	0.000	0.000	1.782
F3	0.000	1.472	-0.233
F4	1.275	-0.736	-0.233
F5	-1.275	-0.736	-0.233

	Si1	H2	F3	F4	F5
Si1		1.4600	1.5734	1.5734	1.5734
H2	1.4600		2.4955	2.4955	2.4955
F3	1.5734	2.4955		2.5499	2.5499
F4	1.5734	2.4955	2.5499		2.5499
F5	1.5734	2.4955	2.5499	2.5499

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	Si1	F3	110.658	H2	Si1	F4	110.658
H2	Si1	F5	110.658	F3	Si1	F4	108.259
F3	Si1	F5	108.259	F4	Si1	F5	108.259

All results from a given calculation for SiHF₃ (trifluorosilane)

using model chemistry: HSEh1PBE/Def2TZVPP

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	0.917
2	H	-0.063
3	F	-0.285
4	F	-0.285
5	F	-0.285

	x	y	z	Total
	0.000	0.000	1.330	1.330
CHELPG
AIM
ESP

	x	y	z
x	3.201	0.000	0.000
y	0.000	3.201	-0.000
z	0.000	-0.000	3.275

<r²>	82.136
(<r²>)^1/2	9.063

All results from a given calculation for SiHF3 (trifluorosilane)

using model chemistry: HSEh1PBE/Def2TZVPP

States and conformations

All results from a given calculation for SiHF₃ (trifluorosilane)