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	hartrees
Energy at 0K	-589.862384
Energy at 298.15K
HF Energy	-589.862384
Nuclear repulsion energy	187.366312

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	2343	2240	64.68	88.12	0.12	0.22
2	A₁	847	810	82.49	4.90	0.00	0.00
3	A₁	414	396	68.83	0.65	0.65	0.79
4	E	990	946	248.64	0.36	0.75	0.86
4	E	990	946	248.83	0.36	0.75	0.86
5	E	835	798	22.96	5.76	0.75	0.86
5	E	835	798	22.99	5.75	0.75	0.86
6	E	296	283	11.65	0.45	0.75	0.86
6	E	296	283	11.69	0.45	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
Si1	0.000	0.000	0.326
H2	0.000	0.000	1.785
F3	0.000	1.480	-0.235
F4	1.282	-0.740	-0.235
F5	-1.282	-0.740	-0.235

	Si1	H2	F3	F4	F5
Si1		1.4597	1.5823	1.5823	1.5823
H2	1.4597		2.5041	2.5041	2.5041
F3	1.5823	2.5041		2.5630	2.5630
F4	1.5823	2.5041	2.5630		2.5630
F5	1.5823	2.5041	2.5630	2.5630

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	Si1	F3	110.742	H2	Si1	F4	110.742
H2	Si1	F5	110.742	F3	Si1	F4	108.171
F3	Si1	F5	108.171	F4	Si1	F5	108.171

All results from a given calculation for SiHF₃ (trifluorosilane)

using model chemistry: wB97X-D/cc-pVTZ

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	0.811
2	H	-0.030
3	F	-0.260
4	F	-0.260
5	F	-0.260

	x	y	z	Total
	0.000	0.000	1.359	1.359
CHELPG
AIM
ESP

	x	y	z
x	3.081	0.000	0.000
y	0.000	3.082	-0.000
z	0.000	-0.000	3.191

<r²>	82.750
(<r²>)^1/2	9.097

All results from a given calculation for SiHF3 (trifluorosilane)

using model chemistry: wB97X-D/cc-pVTZ

States and conformations

All results from a given calculation for SiHF₃ (trifluorosilane)