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	hartrees
Energy at 0K	-589.860880
Energy at 298.15K
HF Energy	-589.860880
Nuclear repulsion energy	187.956507

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	834	834	81.27	6.40	0.00	0.01
2	?_a	833	833	16.56	4.44	0.75	0.86
3	?_a	833	833	16.61	4.44	0.75	0.86
4	A₁	2373	2373	58.89	95.34	0.10	0.18
4	A₁	415	415	67.16	0.54	0.56	0.72
5	E	974	974	260.34	0.57	0.75	0.86
5	E	974	974	260.61	0.57	0.75	0.86
6	E	298	298	11.69	0.40	0.75	0.86
6	E	298	298	11.73	0.41	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
Si1	0.000	0.000	0.322
H2	0.000	0.000	1.777
F3	0.000	1.476	-0.233
F4	1.279	-0.738	-0.233
F5	-1.279	-0.738	-0.233

	Si1	H2	F3	F4	F5
Si1		1.4551	1.5769	1.5769	1.5769
H2	1.4551		2.4932	2.4932	2.4932
F3	1.5769	2.4932		2.5572	2.5572
F4	1.5769	2.4932	2.5572		2.5572
F5	1.5769	2.4932	2.5572	2.5572

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	Si1	F3	110.569	H2	Si1	F4	110.569
H2	Si1	F5	110.569	F3	Si1	F4	108.351
F3	Si1	F5	108.351	F4	Si1	F5	108.351

All results from a given calculation for SiHF₃ (trifluorosilane)

using model chemistry: wB97X-D/6-311+G(3df,2p)

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	1.207
2	H	-0.043
3	F	-0.388
4	F	-0.388
5	F	-0.388

	x	y	z	Total
	0.000	0.000	1.377	1.377
CHELPG
AIM
ESP

	x	y	z
x	3.446	0.000	0.000
y	0.000	3.447	-0.000
z	0.000	-0.000	3.493

<r²>	82.514
(<r²>)^1/2	9.084

All results from a given calculation for SiHF3 (trifluorosilane)

using model chemistry: wB97X-D/6-311+G(3df,2p)

States and conformations

All results from a given calculation for SiHF₃ (trifluorosilane)