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	hartrees
Energy at 0K	-390.900276
Energy at 298.15K
HF Energy	-390.900276
Nuclear repulsion energy	62.124818

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	2188	2158	39.26	193.02	0.04	0.07
2	A₁	1003	989	213.93	14.53	0.59	0.74
3	A₁	861	849	23.81	7.81	0.44	0.61
4	E	2197	2167	172.78	60.23	0.75	0.86
4	E	2197	2167	172.82	60.22	0.75	0.86
5	E	912	900	81.48	22.74	0.75	0.86
5	E	912	900	81.49	22.74	0.75	0.86
6	E	714	705	50.75	10.80	0.75	0.86
6	E	714	705	50.75	10.80	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
Si1	0.000	0.000	0.505
F2	0.000	0.000	-1.120
H3	0.000	1.413	1.002
H4	-1.224	-0.707	1.002
H5	1.224	-0.707	1.002

	Si1	F2	H3	H4	H5
Si1		1.6249	1.4979	1.4979	1.4979
F2	1.6249		2.5493	2.5493	2.5493
H3	1.4979	2.5493		2.4475	2.4475
H4	1.4979	2.5493	2.4475		2.4475
H5	1.4979	2.5493	2.4475	2.4475

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
F2	Si1	H3	109.376	F2	Si1	H4	109.376
F2	Si1	H5	109.376	H3	Si1	H4	109.567
H3	Si1	H5	109.567	H4	Si1	H5	109.567

All results from a given calculation for SiH₃F (monofluorosilane)

using model chemistry: PBEPBEultrafine/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	0.599
2	F	-0.346
3	H	-0.084
4	H	-0.084
5	H	-0.084

	x	y	z	Total
	0.000	0.000	1.176	1.176
CHELPG
AIM
ESP

<r²>	36.231
(<r²>)^1/2	6.019

All results from a given calculation for SiH3F (monofluorosilane)

using model chemistry: PBEPBEultrafine/6-31G**

States and conformations

All results from a given calculation for SiH₃F (monofluorosilane)