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	hartrees
Energy at 0K	-391.110385
Energy at 298.15K
HF Energy	-391.110385
Nuclear repulsion energy	61.785106

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	2275	2275	25.76	240.56	0.04	0.08
2	A₁	1006	1006	218.82	9.70	0.66	0.80
3	A₁	876	876	36.43	4.89	0.49	0.66
4	E	2287	2287	128.59	62.30	0.75	0.86
4	E	2287	2287	129.31	61.93	0.75	0.86
5	E	954	954	90.61	19.23	0.75	0.86
5	E	954	954	90.66	19.54	0.75	0.86
6	E	726	726	59.89	13.39	0.75	0.86
6	E	726	726	59.54	13.41	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
Si1	0.000	0.000	0.517
F2	0.000	0.000	-1.129
H3	0.000	1.412	0.974
H4	-1.223	-0.706	0.974
H5	1.223	-0.706	0.974

	Si1	F2	H3	H4	H5
Si1		1.6457	1.4838	1.4838	1.4838
F2	1.6457		2.5327	2.5327	2.5327
H3	1.4838	2.5327		2.4451	2.4451
H4	1.4838	2.5327	2.4451		2.4451
H5	1.4838	2.5327	2.4451	2.4451

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
F2	Si1	H3	107.942	F2	Si1	H4	107.942
F2	Si1	H5	107.942	H3	Si1	H4	110.957
H3	Si1	H5	110.957	H4	Si1	H5	110.957

All results from a given calculation for SiH₃F (monofluorosilane)

using model chemistry: M06-2X/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	0.597
2	F	-0.354
3	H	-0.081
4	H	-0.081
5	H	-0.081

	x	y	z	Total
	0.000	0.000	1.620	1.620
CHELPG
AIM
ESP

	x	y	z
x	3.668	0.000	0.000
y	0.000	3.670	-0.007
z	0.000	-0.007	3.044

<r²>	36.523
(<r²>)^1/2	6.043

All results from a given calculation for SiH3F (monofluorosilane)

using model chemistry: M06-2X/cc-pVDZ

States and conformations

All results from a given calculation for SiH₃F (monofluorosilane)