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	hartrees
Energy at 0K	-589.889212
Energy at 298.15K
HF Energy	-589.889212
Nuclear repulsion energy	188.309736

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	2355	2249	64.17	87.02	0.12	0.21
2	A₁	848	810	84.01	4.89	0.00	0.01
3	A₁	417	399	68.81	0.68	0.63	0.77
4	E	990	946	261.57	0.40	0.75	0.86
4	E	990	946	261.74	0.40	0.75	0.86
5	E	840	802	19.53	5.38	0.75	0.86
5	E	840	802	19.57	5.38	0.75	0.86
6	E	300	286	11.85	0.46	0.75	0.86
6	E	300	286	11.88	0.46	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
Si1	0.000	0.000	0.321
H2	0.000	0.000	1.778
F3	0.000	1.473	-0.232
F4	1.276	-0.737	-0.232
F5	-1.276	-0.737	-0.232

	Si1	H2	F3	F4	F5
Si1		1.4569	1.5738	1.5738	1.5738
H2	1.4569		2.4926	2.4926	2.4926
F3	1.5738	2.4926		2.5516	2.5516
F4	1.5738	2.4926	2.5516		2.5516
F5	1.5738	2.4926	2.5516	2.5516

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	Si1	F3	110.601	H2	Si1	F4	110.601
H2	Si1	F5	110.601	F3	Si1	F4	108.319
F3	Si1	F5	108.319	F4	Si1	F5	108.319

All results from a given calculation for SiHF₃ (trifluorosilane)

using model chemistry: wB97X-D/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	0.915
2	H	-0.044
3	F	-0.290
4	F	-0.290
5	F	-0.290

	x	y	z	Total
	0.000	0.000	1.323	1.323
CHELPG
AIM
ESP

	x	y	z
x	3.188	0.000	0.000
y	0.000	3.190	-0.000
z	0.000	-0.000	3.253

<r²>	82.163
(<r²>)^1/2	9.064

All results from a given calculation for SiHF3 (trifluorosilane)

using model chemistry: wB97X-D/Def2TZVPP

States and conformations

All results from a given calculation for SiHF₃ (trifluorosilane)