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	hartrees
Energy at 0K	-589.976396
Energy at 298.15K
HF Energy	-589.976396
Nuclear repulsion energy	187.606486

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	2371	2371	62.48	86.62	0.12	0.21
2	A₁	839	839	76.72	5.65	0.00	0.00
3	A₁	409	409	62.99	0.77	0.64	0.78
4	E	987	987	247.92	0.46	0.75	0.86
4	E	987	987	247.93	0.46	0.75	0.86
5	E	831	831	18.90	5.36	0.75	0.86
5	E	831	831	18.90	5.35	0.75	0.86
6	E	294	294	11.12	0.52	0.75	0.86
6	E	294	294	11.13	0.52	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	1.479	-0.233
F4	1.281	-0.739	-0.233
F5	-1.281	-0.739	-0.233

	Si1	H2	F3	F4	F5
Si1		1.4579	1.5800	1.5800	1.5800
H2	1.4579		2.4989	2.4989	2.4989
F3	1.5800	2.4989		2.5613	2.5613
F4	1.5800	2.4989	2.5613		2.5613
F5	1.5800	2.4989	2.5613	2.5613

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	Si1	F3	110.619	H2	Si1	F4	110.619
H2	Si1	F5	110.619	F3	Si1	F4	108.299
F3	Si1	F5	108.299	F4	Si1	F5	108.299

All results from a given calculation for SiHF₃ (trifluorosilane)

using model chemistry: TPSSh/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	0.939
2	H	-0.107
3	F	-0.277
4	F	-0.277
5	F	-0.277

	x	y	z	Total
	0.000	0.000	1.279	1.279
CHELPG
AIM
ESP

	x	y	z
x	3.273	0.000	0.000
y	0.000	3.273	-0.000
z	0.000	-0.000	3.320

<r²>	82.660
(<r²>)^1/2	9.092

All results from a given calculation for SiHF3 (trifluorosilane)

using model chemistry: TPSSh/Def2TZVPP

States and conformations

All results from a given calculation for SiHF₃ (trifluorosilane)