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	hartrees
Energy at 0K	-391.122491
Energy at 298.15K
HF Energy	-391.122491
Nuclear repulsion energy	61.535552

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	2229	2150	29.97	315.82	0.03	0.05
2	A₁	957	923	161.80	1.09	0.75	0.86
3	A₁	824	794	76.12	6.36	0.29	0.45
4	E	2244	2165	117.50	52.89	0.75	0.86
4	E	2244	2165	117.52	52.88	0.75	0.86
5	E	940	907	72.20	6.38	0.75	0.86
5	E	940	907	72.20	6.39	0.75	0.86
6	E	703	678	47.13	5.62	0.75	0.86
6	E	703	678	47.13	5.61	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
Si1	0.000	0.000	0.520
F2	0.000	0.000	-1.132
H3	0.000	1.421	0.973
H4	-1.230	-0.710	0.973
H5	1.230	-0.710	0.973

	Si1	F2	H3	H4	H5
Si1		1.6520	1.4913	1.4913	1.4913
F2	1.6520		2.5399	2.5399	2.5399
H3	1.4913	2.5399		2.4607	2.4607
H4	1.4913	2.5399	2.4607		2.4607
H5	1.4913	2.5399	2.4607	2.4607

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
F2	Si1	H3	107.703	F2	Si1	H4	107.703
F2	Si1	H5	107.703	H3	Si1	H4	111.180
H3	Si1	H5	111.180	H4	Si1	H5	111.180

All results from a given calculation for SiH₃F (monofluorosilane)

using model chemistry: B3PW91/aug-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	0.216
2	F	-0.580
3	H	0.121
4	H	0.121
5	H	0.121

	x	y	z	Total
	0.000	0.000	1.623	1.623
CHELPG
AIM
ESP

<r²>	36.848
(<r²>)^1/2	6.070

All results from a given calculation for SiH3F (monofluorosilane)

using model chemistry: B3PW91/aug-cc-pVDZ

States and conformations

All results from a given calculation for SiH₃F (monofluorosilane)