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	hartrees
Energy at 0K	-77.063175
Energy at 298.15K
HF Energy	-77.063175
Nuclear repulsion energy	61.112606

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	2333	2333	43.58	127.10	0.20	0.33
2	A₁	727	727	85.40	8.82	0.01	0.01
3	A₁	349	349	95.26	2.65	0.69	0.82
4	E	878	878	235.37	0.83	0.75	0.86
4	E	877	877	234.42	0.82	0.75	0.86
5	E	754	754	17.85	16.43	0.75	0.86
5	E	754	754	18.06	16.24	0.75	0.86
6	E	246	246	19.11	1.72	0.75	0.86
6	E	246	246	19.08	1.70	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
Si1	0.000	0.000	0.365
H2	0.000	0.000	1.846
F3	0.000	1.555	-0.258
F4	1.346	-0.777	-0.258
F5	-1.346	-0.777	-0.258

	Si1	H2	F3	F4	F5
Si1		1.4805	1.6747	1.6747	1.6747
H2	1.4805		2.6155	2.6155	2.6155
F3	1.6747	2.6155		2.6925	2.6925
F4	1.6747	2.6155	2.6925		2.6925
F5	1.6747	2.6155	2.6925	2.6925

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	Si1	F3	111.835	H2	Si1	F4	111.835
H2	Si1	F5	111.835	F3	Si1	F4	107.008
F3	Si1	F5	107.008	F4	Si1	F5	107.008

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	1.318
2	H	-0.003
3	F	-0.438
4	F	-0.438
5	F	-0.438

	x	y	z	Total
	0.000	0.000	3.059	3.059
CHELPG
AIM
ESP

	x	y	z
x	2.789	0.000	0.000
y	0.000	2.785	-0.000
z	0.000	-0.000	2.681

<r²>	74.505
(<r²>)^1/2	8.632

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)