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	hartrees
Energy at 0K	-391.158905
Energy at 298.15K
HF Energy	-391.158905
Nuclear repulsion energy	61.627552

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	2242	2148	27.28	237.50	0.04	0.08
2	A₁	995	953	205.50	9.27	0.66	0.79
3	A₁	856	820	34.51	5.52	0.46	0.63
4	E	2255	2161	133.59	63.00	0.75	0.86
4	E	2255	2161	133.61	62.99	0.75	0.86
5	E	941	901	85.28	18.84	0.75	0.86
5	E	941	901	85.28	18.84	0.75	0.86
6	E	717	687	53.88	13.39	0.75	0.86
6	E	717	687	53.88	13.39	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
Si1	0.000	0.000	0.517
F2	0.000	0.000	-1.131
H3	0.000	1.417	0.980
H4	-1.228	-0.709	0.980
H5	1.228	-0.709	0.980

	Si1	F2	H3	H4	H5
Si1		1.6481	1.4911	1.4911	1.4911
F2	1.6481		2.5427	2.5427	2.5427
H3	1.4911	2.5427		2.4550	2.4550
H4	1.4911	2.5427	2.4550		2.4550
H5	1.4911	2.5427	2.4550	2.4550

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
F2	Si1	H3	108.083	F2	Si1	H4	108.083
F2	Si1	H5	108.083	H3	Si1	H4	110.823
H3	Si1	H5	110.823	H4	Si1	H5	110.823

All results from a given calculation for SiH₃F (monofluorosilane)

using model chemistry: mPW1PW91/cc-pVDZ

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	0.545
2	F	-0.346
3	H	-0.066
4	H	-0.066
5	H	-0.066

	x	y	z	Total
	0.000	0.000	1.572	1.572
CHELPG
AIM
ESP

<r²>	36.613
(<r²>)^1/2	6.051

All results from a given calculation for SiH3F (monofluorosilane)

using model chemistry: mPW1PW91/cc-pVDZ

States and conformations

All results from a given calculation for SiH₃F (monofluorosilane)