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	hartrees
Energy at 0K	-391.024640
Energy at 298.15K
HF Energy	-391.024640
Nuclear repulsion energy	62.268786

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	2244	2155	30.03	255.54	0.04	0.08
2	A₁	973	934	213.40	13.06	0.67	0.80
3	A₁	850	816	73.68	5.71	0.48	0.65
4	E	2256	2166	136.07	68.17	0.75	0.86
4	E	2256	2166	136.09	68.18	0.75	0.86
5	E	949	911	88.68	20.24	0.75	0.86
5	E	949	911	88.68	20.24	0.75	0.86
6	E	709	681	56.20	16.98	0.75	0.86
6	E	709	681	56.20	16.98	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
Si1	0.000	0.000	0.510
F2	0.000	0.000	-1.117
H3	0.000	1.413	0.971
H4	-1.224	-0.706	0.971
H5	1.224	-0.706	0.971

	Si1	F2	H3	H4	H5
Si1		1.6262	1.4865	1.4865	1.4865
F2	1.6262		2.5212	2.5212	2.5212
H3	1.4865	2.5212		2.4473	2.4473
H4	1.4865	2.5212	2.4473		2.4473
H5	1.4865	2.5212	2.4473	2.4473

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
F2	Si1	H3	108.102	F2	Si1	H4	108.102
F2	Si1	H5	108.102	H3	Si1	H4	110.805
H3	Si1	H5	110.805	H4	Si1	H5	110.805

All results from a given calculation for SiH₃F (monofluorosilane)

using model chemistry: HSEh1PBE/TZVP

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	0.606
2	F	-0.349
3	H	-0.086
4	H	-0.086
5	H	-0.086

	x	y	z	Total
	0.000	0.000	1.637	1.637
CHELPG
AIM
ESP

	x	y	z
x	3.798	0.000	0.000
y	0.000	3.798	-0.000
z	0.000	-0.000	3.143

<r²>	36.271
(<r²>)^1/2	6.023

All results from a given calculation for SiH3F (monofluorosilane)

using model chemistry: HSEh1PBE/TZVP

States and conformations

All results from a given calculation for SiH₃F (monofluorosilane)