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	hartrees
Energy at 0K	-390.982100
Energy at 298.15K
HF Energy	-390.982100
Nuclear repulsion energy	62.081683

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	2177	2177	30.50	329.51	0.03	0.05
2	A₁	939	939	158.98	1.08	0.75	0.86
3	A₁	825	825	66.80	6.90	0.27	0.43
4	E	2192	2192	119.47	56.71	0.75	0.86
4	E	2192	2192	119.50	56.56	0.75	0.86
5	E	916	916	67.85	6.11	0.75	0.86
5	E	916	916	67.86	6.17	0.75	0.86
6	E	691	691	44.67	6.13	0.75	0.86
6	E	691	691	44.67	6.13	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
Si1	0.000	0.000	0.510
F2	0.000	0.000	-1.119
H3	0.000	1.419	0.976
H4	-1.229	-0.710	0.976
H5	1.229	-0.710	0.976

	Si1	F2	H3	H4	H5
Si1		1.6299	1.4934	1.4934	1.4934
F2	1.6299		2.5307	2.5307	2.5307
H3	1.4934	2.5307		2.4579	2.4579
H4	1.4934	2.5307	2.4579		2.4579
H5	1.4934	2.5307	2.4579	2.4579

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
F2	Si1	H3	108.159	F2	Si1	H4	108.159
F2	Si1	H5	108.159	H3	Si1	H4	110.751
H3	Si1	H5	110.751	H4	Si1	H5	110.751

All results from a given calculation for SiH₃F (monofluorosilane)

using model chemistry: PBEPBEultrafine/daug-cc-pVTZ

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	1.352
2	F	-0.861
3	H	-0.164
4	H	-0.164
5	H	-0.164

	x	y	z	Total
	0.000	0.000	1.352	1.352
CHELPG
AIM
ESP

<r²>	36.550
(<r²>)^1/2	6.046

All results from a given calculation for SiH3F (monofluorosilane)

using model chemistry: PBEPBEultrafine/daug-cc-pVTZ

States and conformations

All results from a given calculation for SiH₃F (monofluorosilane)