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	hartrees
Energy at 0K	-589.972368
Energy at 298.15K
HF Energy	-589.972368
Nuclear repulsion energy	187.500184

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	2373	2373	59.48	98.88	0.09	0.17
2	A₁	831	831	75.09	8.30	0.00	0.00
3	A₁	407	407	61.70	0.58	0.53	0.70
4	E	976	976	247.77	0.63	0.75	0.86
4	E	976	976	247.86	0.62	0.75	0.86
5	E	833	833	16.49	3.94	0.75	0.86
5	E	833	833	16.49	3.93	0.75	0.86
6	E	291	291	11.18	0.40	0.75	0.86
6	E	291	291	11.20	0.40	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
Si1	0.000	0.000	0.323
H2	0.000	0.000	1.781
F3	0.000	1.480	-0.234
F4	1.281	-0.740	-0.234
F5	-1.281	-0.740	-0.234

	Si1	H2	F3	F4	F5
Si1		1.4581	1.5809	1.5809	1.5809
H2	1.4581		2.5000	2.5000	2.5000
F3	1.5809	2.5000		2.5627	2.5627
F4	1.5809	2.5000	2.5627		2.5627
F5	1.5809	2.5000	2.5627	2.5627

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	Si1	F3	110.630	H2	Si1	F4	110.630
H2	Si1	F5	110.630	F3	Si1	F4	108.288
F3	Si1	F5	108.288	F4	Si1	F5	108.288

All results from a given calculation for SiHF₃ (trifluorosilane)

using model chemistry: TPSSh/aug-cc-pCVTZ

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	1.802
2	H	-0.003
3	F	-0.599
4	F	-0.599
5	F	-0.599

	x	y	z	Total
	0.000	0.000	1.314	1.314
CHELPG
AIM
ESP

	x	y	z
x	3.664	0.000	0.000
y	0.000	3.665	-0.000
z	0.000	-0.000	3.707

<r²>	82.852
(<r²>)^1/2	9.102

All results from a given calculation for SiHF3 (trifluorosilane)

using model chemistry: TPSSh/aug-cc-pCVTZ

States and conformations

All results from a given calculation for SiHF₃ (trifluorosilane)