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	hartrees
Energy at 0K	-391.142387
Energy at 298.15K
HF Energy	-391.142387
Nuclear repulsion energy	62.730718

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	2290	2172	43.21	185.35	0.04	0.07
2	A₁	1037	983	261.21	15.11	0.62	0.76
3	A₁	897	850	28.04	6.80	0.47	0.64
4	E	2297	2178	200.05	58.04	0.75	0.86
4	E	2297	2178	200.07	58.04	0.75	0.86
5	E	956	906	102.21	23.35	0.75	0.86
5	E	956	906	102.22	23.36	0.75	0.86
6	E	740	702	60.74	10.82	0.75	0.86
6	E	740	702	60.74	10.82	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
Si1	0.000	0.000	0.501
F2	0.000	0.000	-1.108
H3	0.000	1.402	0.988
H4	-1.214	-0.701	0.988
H5	1.214	-0.701	0.988

	Si1	F2	H3	H4	H5
Si1		1.6092	1.4840	1.4840	1.4840
F2	1.6092		2.5220	2.5220	2.5220
H3	1.4840	2.5220		2.4277	2.4277
H4	1.4840	2.5220	2.4277		2.4277
H5	1.4840	2.5220	2.4277	2.4277

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
F2	Si1	H3	109.174	F2	Si1	H4	109.174
F2	Si1	H5	109.174	H3	Si1	H4	109.767
H3	Si1	H5	109.767	H4	Si1	H5	109.767

All results from a given calculation for SiH₃F (monofluorosilane)

using model chemistry: mPW1PW91/6-31G*

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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Number	Element	Mulliken
1	Si	0.669
2	F	-0.398
3	H	-0.090
4	H	-0.090
5	H	-0.090

	x	y	z	Total
	0.000	0.000	1.286	1.286
CHELPG
AIM
ESP

<r²>	35.724
(<r²>)^1/2	5.977

All results from a given calculation for SiH3F (monofluorosilane)

using model chemistry: mPW1PW91/6-31G*

States and conformations

All results from a given calculation for SiH₃F (monofluorosilane)