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	hartrees
Energy at 0K	-391.214341
Energy at 298.15K
HF Energy	-391.214341
Nuclear repulsion energy	63.100785

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	2238	2238	31.90	307.12	0.02	0.05
2	A₁	992	992	188.47	0.97	0.73	0.85
3	A₁	876	876	72.35	4.92	0.31	0.47
4	E	2237	2237	138.40	48.01	0.75	0.86
4	E	2237	2237	138.34	47.94	0.75	0.86
5	E	969	969	82.26	4.92	0.75	0.86
5	E	969	969	82.38	4.92	0.75	0.86
6	E	727	727	55.06	4.69	0.75	0.86
6	E	727	727	55.10	4.73	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
Si1	0.000	0.000	0.500
F2	0.000	0.000	-1.100
H3	0.000	1.401	0.965
H4	-1.214	-0.701	0.965
H5	1.214	-0.701	0.965

	Si1	F2	H3	H4	H5
Si1		1.6001	1.4766	1.4766	1.4766
F2	1.6001		2.4958	2.4958	2.4958
H3	1.4766	2.4958		2.4274	2.4274
H4	1.4766	2.4958	2.4274		2.4274
H5	1.4766	2.4958	2.4274	2.4274

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
F2	Si1	H3	108.359	F2	Si1	H4	108.359
F2	Si1	H5	108.359	H3	Si1	H4	110.561
H3	Si1	H5	110.561	H4	Si1	H5	110.561

All results from a given calculation for SiH₃F (monofluorosilane)

using model chemistry: wB97X-D/aug-cc-pV(T+d)Z

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	1.160
2	F	-0.634
3	H	-0.175
4	H	-0.175
5	H	-0.175

	x	y	z	Total
	0.000	0.000	1.299	1.299
CHELPG
AIM
ESP

	x	y	z
x	4.338	0.000	0.000
y	0.000	4.340	0.001
z	0.000	0.001	3.994

<r²>	35.645
(<r²>)^1/2	5.970

All results from a given calculation for SiH3F (monofluorosilane)

using model chemistry: wB97X-D/aug-cc-pV(T+d)Z

States and conformations

All results from a given calculation for SiH₃F (monofluorosilane)