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	hartrees
Energy at 0K	-589.910493
Energy at 298.15K
HF Energy	-589.910493
Nuclear repulsion energy	188.334077

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	2386	2386	58.49	95.33	0.10	0.19
2	A₁	842	842	79.75	6.52	0.00	0.00
3	A₁	413	413	66.23	0.56	0.58	0.74
4	E	986	986	251.35	0.63	0.75	0.86
4	E	986	986	251.51	0.63	0.75	0.86
5	E	827	827	19.60	4.60	0.75	0.86
5	E	827	827	19.64	4.59	0.75	0.86
6	E	296	296	11.67	0.42	0.75	0.86
6	E	296	296	11.69	0.42	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
Si1	0.000	0.000	0.323
H2	0.000	0.000	1.775
F3	0.000	1.473	-0.233
F4	1.275	-0.736	-0.233
F5	-1.275	-0.736	-0.233

	Si1	H2	F3	F4	F5
Si1		1.4529	1.5740	1.5740	1.5740
H2	1.4529		2.4905	2.4905	2.4905
F3	1.5740	2.4905		2.5508	2.5508
F4	1.5740	2.4905	2.5508		2.5508
F5	1.5740	2.4905	2.5508	2.5508

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	Si1	F3	110.667	H2	Si1	F4	110.667
H2	Si1	F5	110.667	F3	Si1	F4	108.250
F3	Si1	F5	108.250	F4	Si1	F5	108.250

All results from a given calculation for SiHF₃ (trifluorosilane)

using model chemistry: B1B95/6-311+G(3df,2p)

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	1.241
2	H	-0.056
3	F	-0.395
4	F	-0.395
5	F	-0.395

	x	y	z	Total
	0.000	0.000	1.369	1.369
CHELPG
AIM
ESP

	x	y	z
x	3.430	0.000	0.000
y	0.000	3.432	-0.001
z	0.000	-0.001	3.494

<r²>	82.181
(<r²>)^1/2	9.065

All results from a given calculation for SiHF3 (trifluorosilane)

using model chemistry: B1B95/6-311+G(3df,2p)

States and conformations

All results from a given calculation for SiHF₃ (trifluorosilane)