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	hartrees
Energy at 0K	-589.960430
Energy at 298.15K
HF Energy	-589.960430
Nuclear repulsion energy	186.694770

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	830	830	18.06	3.99	0.75	0.86
2	?_a	830	830	18.09	3.97	0.75	0.86
3	?_a	828	828	74.68	8.87	0.00	0.00
4	A₁	2378	2378	57.36	99.27	0.10	0.18
4	A₁	403	403	62.30	0.57	0.54	0.70
5	E	972	972	244.68	0.67	0.75	0.86
5	E	972	972	244.79	0.67	0.75	0.86
6	E	286	286	11.36	0.39	0.75	0.86
6	E	286	286	11.34	0.39	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
Si1	0.000	0.000	0.326
H2	0.000	0.000	1.786
F3	0.000	1.486	-0.235
F4	1.286	-0.743	-0.235
F5	-1.286	-0.743	-0.235

	Si1	H2	F3	F4	F5
Si1		1.4599	1.5882	1.5882	1.5882
H2	1.4599		2.5088	2.5088	2.5088
F3	1.5882	2.5088		2.5730	2.5730
F4	1.5882	2.5088	2.5730		2.5730
F5	1.5882	2.5088	2.5730	2.5730

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	Si1	F3	110.716	H2	Si1	F4	110.716
H2	Si1	F5	110.716	F3	Si1	F4	108.198
F3	Si1	F5	108.198	F4	Si1	F5	108.198

All results from a given calculation for SiHF₃ (trifluorosilane)

using model chemistry: TPSSh/daug-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	2.148
2	H	0.470
3	F	-0.873
4	F	-0.873
5	F	-0.873

	x	y	z	Total
	0.000	0.000	1.375	1.375
CHELPG
AIM
ESP

	x	y	z
x	3.707	0.000	0.000
y	0.000	3.707	-0.000
z	0.000	-0.000	3.754

<r²>	83.437
(<r²>)^1/2	9.134

All results from a given calculation for SiHF3 (trifluorosilane)

using model chemistry: TPSSh/daug-cc-pVTZ

States and conformations

All results from a given calculation for SiHF₃ (trifluorosilane)