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	hartrees
Energy at 0K	-586.383051
Energy at 298.15K
HF Energy	-586.235315
Nuclear repulsion energy	187.577757

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	2478	2478	103.46	62.47	0.18	0.31
2	A₁	917	917	67.28	4.66	0.00	0.00
3	A₁	431	431	74.10	1.10	0.74	0.85
4	E	1121	1121	229.15	0.56	0.75	0.86
4	E	1121	1121	229.16	0.56	0.75	0.86
5	E	909	909	33.66	10.54	0.75	0.86
5	E	909	909	33.66	10.54	0.75	0.86
6	E	317	317	13.52	0.70	0.75	0.86
6	E	317	317	13.51	0.70	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
Si1	0.000	0.000	0.332
H2	0.000	0.000	1.790
F3	0.000	1.475	-0.239
F4	1.277	-0.738	-0.239
F5	-1.277	-0.738	-0.239

	Si1	H2	F3	F4	F5
Si1		1.4575	1.5817	1.5817	1.5817
H2	1.4575		2.5080	2.5080	2.5080
F3	1.5817	2.5080		2.5549	2.5549
F4	1.5817	2.5080	2.5549		2.5549
F5	1.5817	2.5080	2.5549	2.5549

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	Si1	F3	111.154	H2	Si1	F4	111.154
H2	Si1	F5	111.154	F3	Si1	F4	107.737
F3	Si1	F5	107.737	F4	Si1	F5	107.737

All results from a given calculation for SiHF₃ (trifluorosilane)

using model chemistry: B2PLYP=FULL/3-21G*

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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All results from a given calculation for SiHF3 (trifluorosilane)

using model chemistry: B2PLYP=FULL/3-21G*

States and conformations

All results from a given calculation for SiHF₃ (trifluorosilane)