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	hartrees
Energy at 0K	-588.285619
Energy at 298.15K
HF Energy	-587.847679
Nuclear repulsion energy	177.892707

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	2381	2262	80.60	103.96	0.19	0.32
2	A₁	774	735	70.03	8.88	0.00	0.00
3	A₁	375	356	103.00	2.12	0.73	0.85
4	E	954	906	240.68	1.71	0.75	0.86
4	E	954	906	240.68	1.71	0.75	0.86
5	E	823	782	18.73	17.97	0.75	0.86
5	E	823	782	18.73	17.97	0.75	0.86
6	E	262	249	20.77	1.44	0.75	0.86
6	E	262	249	20.77	1.44	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
Si1	0.000	0.000	0.358
H2	0.000	0.000	1.832
F3	0.000	1.556	-0.253
F4	1.347	-0.778	-0.253
F5	-1.347	-0.778	-0.253

	Si1	H2	F3	F4	F5
Si1		1.4738	1.6717	1.6717	1.6717
H2	1.4738		2.6016	2.6016	2.6016
F3	1.6717	2.6016		2.6949	2.6949
F4	1.6717	2.6016	2.6949		2.6949
F5	1.6717	2.6016	2.6949	2.6949

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	Si1	F3	111.450	H2	Si1	F4	111.450
H2	Si1	F5	111.450	F3	Si1	F4	107.422
F3	Si1	F5	107.422	F4	Si1	F5	107.422

All results from a given calculation for SiHF₃ (trifluorosilane)

using model chemistry: MP2=FULL/6-31G

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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HF vs MP2 Bad vib. Calc. vs exp. 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All results from a given calculation for SiHF3 (trifluorosilane)

using model chemistry: MP2=FULL/6-31G

States and conformations

All results from a given calculation for SiHF₃ (trifluorosilane)