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	hartrees
Energy at 0K	-77.214086
Energy at 298.15K
HF Energy	-77.214086
Nuclear repulsion energy	63.780023

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	828	828	17.89	7.45	0.75	0.86
2	?_a	828	828	18.00	7.38	0.75	0.86
3	?_a	826	826	89.59	4.14	0.00	0.01
4	A₁	2367	2367	69.73	80.14	0.18	0.31
4	A₁	409	409	73.88	1.03	0.67	0.80
5	E	972	972	257.99	0.64	0.75	0.86
5	E	972	972	258.21	0.64	0.75	0.86
6	E	290	290	13.79	0.67	0.75	0.86
6	E	290	290	13.80	0.66	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
Si1	0.000	0.000	0.329
H2	0.000	0.000	1.805
F3	0.000	1.492	-0.238
F4	1.292	-0.746	-0.238
F5	-1.292	-0.746	-0.238

	Si1	H2	F3	F4	F5
Si1		1.4757	1.5960	1.5960	1.5960
H2	1.4757		2.5294	2.5294	2.5294
F3	1.5960	2.5294		2.5842	2.5842
F4	1.5960	2.5294	2.5842		2.5842
F5	1.5960	2.5294	2.5842	2.5842

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	Si1	F3	110.801	H2	Si1	F4	110.801
H2	Si1	F5	110.801	F3	Si1	F4	108.109
F3	Si1	F5	108.109	F4	Si1	F5	108.109

All results from a given calculation for SiHF₃ (trifluorosilane)

using model chemistry: wB97X-D/CEP-31G*

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	0.723
2	H	0.058
3	F	-0.260
4	F	-0.260
5	F	-0.260

	x	y	z	Total
	0.000	0.000	1.645	1.645
CHELPG
AIM
ESP

	x	y	z
x	2.750	0.000	0.000
y	0.000	2.752	0.002
z	0.000	0.002	2.721

<r²>	68.447
(<r²>)^1/2	8.273

All results from a given calculation for SiHF3 (trifluorosilane)

using model chemistry: wB97X-D/CEP-31G*

States and conformations

All results from a given calculation for SiHF₃ (trifluorosilane)